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Unit of Computer-Aided Molecular “Biosilico” Discovery and Bioinformatic Research (CAMD-BIR Unit)                                                                            

                                   

 

BOOKMARKS

Software

3D Structure Generation

Corina (MN)
ChemFrontier

 

3D-QSAR

GERM

GOLPE

GRID

HASL

hint!

Quasar

 

Chemometrics

MIA

Umetrics

  

ADMET Prediction

ADMEWORKS
Amedis

Camitro

iDEA

OraSpotter

PK-Map
PK-Sim

Simulations Plus

  

Bioinformatics

ANTHEPROT

Artemis

AnVil Informatics

BioTools

Celera

CE 3
CombAlign

Darwin

DoubleTwist

Eddy's Lab Tools

Expression

GeneMine

GeneLinker

Genomica

Iconix

ICM-Bioinformatics

InforMax

LION Bioscience

LOOPP

Orpheus

Paracel

Pred/Phrap/Consed

PROTARCH

ProteoMetrics

Phylogeny List

Pipeline Pilot

PISCES

Protana

Sanger Centre

Setter

STAMP

Structural Bioinformatics

ToPLign

  

Biopolymer Tools

DOMPLOT

HBPLUS

LigPlot

naccess

NUCPLOT

PROCHECK

PROCOMP

SCWRL

SURFNET

X-SITE

    

Cavity Search

PASS

 

Code
Applied Statistics Algorithms

GAMS

HotGAMS

Numerical Algorithms Group

StatCodes

 

Computational Chemistry 

ADF

AMPAC

AMSOL

Conformer

CONFLEX

DivCon

DYNAMO (QM/MM)

DYNAMO (NMR)

ECEPPAK

Gaussian

GAMESS

Harmony

ICM-REBEL

LocalSCF

MCCE

MolPro

MOPAC

NWChem

OpenMol

PQS

Q-Chem

QCPE
Turbo-Frodo
WebMO
YASARA

  

 

Property Prediction

ACD

ChemSilico

Pharma-Algorithms

SciVision

SRC 

 

Data Analysis/Modeling 

Analyze/StripMiner

CoPlot

DataFit

DynaFit
Equbits

Fitter

Feature Trees

FEMLAB

FlexPDE

IGOR Pro

Kinetica

Minitab

Mathematica

MLAB

MAPLE

MATLAB

Miner3D

Neural Network Add-Ins for Excel

NLREG

NONMEM

Origin

PK Solutions

PLS_Toolbox

PopKinetics

PSI-Plot & ProStat

Research Systems

SAAM II

Scientist

SONNIA

S-PLUS

Statistica
STODE
Teranode Design Suite

Weka

XploRe

 

Data Management/Mining 

CHED

ChemTK

ChemTree

Clementine

DiscoveryCenter

eLabBook

Filter
GhostMiner

HelixTree

InforSense

LeadScope

LUCIA

Metabase

NuGenesis SDMS

Pipeline Pilot
quattro

QCluster
Pervasive

Recommind

VIDA

 

De Novo Design

BUILDER

CombiBuild

CONCERTS

LigBuilder

MCDNLG

MolGrow

NEWLEAD

RASSE

SMoG

SPROUT

  

Distributed Computing

AVAKI

Entropia
Models@Home

Platform

Scientific

Turboworx

United Devices

Docking

3-DPL Map

Autodock

CAVEAT

CLIX

Dock

DockIT

DockVision

eHits

ESCHER NG

FlexE
FlexX

FlexX-Pharm
FlexX-Scan
FLOG

FRED

GOLD

GRAMM

Hammerhead

ICM-Dock

PRO_LEADS

RosettaDock

Score

Situs

SenSitus

Slide

VRDD

X-Score (scoring only)

Drawing and Nomenclature
ChemDraw Net Plugin

ChemInnovation

 

Optimization

ILOG

SAS Institute

  

Electrostatics

APBS

DelPhi

QUAC PAC

ZAP (1, 2


File Conversion

CLiDE

CLIFF

Open Babel

SciConvert

 

Link Collections

EBI Biocatalog

GAMS

Mathtools

NBCR Software

Netlib

Network Science List

NIH CMM List

 

Literature Management

Librarian
PowerRef

    

MD/MC 

AMBER

BOSS/MCPRO

CHARMM

DL_POLY
CYANA 

EGO
GROMACS

IED

ISIM

MOIL

MOIL-View

NAMD
nMOLDYN

Q

UHBD
   

Metabolism Prediction

Meta

MetaSite

Meteor

      

Molecular Visualization

AstexViewer

B (formerly Biomer)
BioBox

ChemSymphony

CheVi

Chime Plugin

Chimera

Cn3D

Deep View (Swiss-PDB Viewer)

Dino

Flex

FlexV

Flo

Garlic

gdpc

Ghemical

gOpenMol

GRASP

Java Mage

JME Molecular Editor

JMol

SDSC MICE

MidasPlus

ModView

Molekel

MOLMOL

MolScript

Moviemol

O

PAOLA

PDB to VRML Converter

PREPI

PyMOL

Qmol

Rasmol (1, 2, 3, 4)

Raster3D

RasTop

ScienceGL

SCHAKAL

Spock

Turbo Frodo

VEGA ZZ

Viewmol

Viewer

Visualize

VMD

WinMGM2

XChemEdit/ChemEdit

XMakemol

XmMol

YMol

 

 

Network Visualization
Ospreys
ToPNet
TreeWiz

Tulip

   

Pathway Modeling
Cell Illustrator
Teranode Design Suite

 

Modeling/Data Management

Accelrys

Bioreason

CambridgeSoft

Daylight

IDBS

MDL

MolSoft

Tripos

  

Programming

ASP

The Fortran Company

Fortran Library

Java

JavaScript
MMTK

Perl

PHP

Python

      

Properties /Parameters

Absolv

Almond

BioLoom (ClogP...)

Cranium

CODESSA

EPI Suite

CLIP

DISCON

Dragon

HYBOT-PLUS

Interactive Analysis

JOELib

mitools
   

Protein Flexibility

FIRST

   

Protein Interactions

DOT

Escher NG

HADDOCK

ProViz

   

Stereoisomer Generation
STERGEN
  

Superposition

FlexS

GAMMA

LSim

MIPSIM

ROCS

   
Synthesis Design
ChIP

WODCA
     

Systems Biology

E-CELL

In Silico Cell

Jarnac

Cytoscape
SimWiz

ToPNet

   

Teaching

Molecular Conceptor

Modern Biopharmaceutics

Odyssey

 

Computational Chemistry

AM Technologies

Fujitsu CAChe

Chemical Computing Group

Hypercube

Schrödinger

Wavefunction

  

Toxicity Prediction

Derek

MultiCASE

PASS (bioactivities)

TerraBase

  

 Conformer Generation
CONFLEX2000

OMEGA

OMICRON

ROTATE

 

Compound Warehousing

C@ROL

JChemBase

workaccelerator

 

Data Visualization

MayaVi

Supercomputing Centers

 

San Diego Supercomputing Center

Pittsburgh Supercomputing Center 

Center for High Performance Computing 

National Center for Supercomputing Applications 

The Center for Computational Sciences 

Center for Advanced Computing Research 

North Carolina Supercomputing Center 

Ohio Supercomputing Center 

The Coalition for Academic Scientific Computation

 

Databases

Bioinformatics

BALiBASE

BIMAS
BioCyc

BioInfo Bank

BioKnowledge

BRENDA

CATH

Clusters of Orthologous Groups of Proteins

Codon Usage DB

COPE

Cystic Fibrosis MDB

Delila

EBI DBs

EcoCyc/MetaCyc

eF-Site

EMBL DBs

EMP

Ensembl

Entrez

ExPASy

FPScan

Genome Browser

Genome DB

Genome KnowledgeBase

GenomeSeek

GenomeNet

GO

GOLD

GTOP

HGVbase & Links

HIV Sequence DB

Homstrad

HSC Links

HUGO Mutation DBs

IMB Jena

INSD

INTERPRO

IUBio Archive

KEGG

LifeSeq

MBCR DBs & Links

MIPS

MitoP

Mouse Genome Informatics

NCBI BLAST Search

NCGR

PALI

PAPIA

PIR

Sanger Centre DBs

Sequence/Structure Site

SRPDB

Stanford Genomic Resources

UMBER

UniProt

   
Biomolecular Simulations

BioSimGrid

   

Biological Effect Data

AmicBase

Biocatalysis/Biodegradation DB

Carcinogenic Potency Project

ChemBank

Drug Data Report DB

EDKB
ISS Chemical Carcinogens
NIH NIEHS National Toxicology Program

NIH NCI DBs (CambridgeSoft, CCC, MDL, DayLight)

Prous Science DBs
PubChem

RTECS (MDL, NIOSH)

US EPA DSSTox

 

 Ligand Binding Data

AffinDB
BindingDB

ChemBank
DLRP

KiBank
PDBbind

PDSP Drug Ki DB
PubChem
SMID

WOMBAT

 

Biopolymer Interactions

ASEdb

3DID

BID

BIND

BRITE

DIP

GRID
IntAct

InterDom

KDBI

MINT

MPPI

NuRISITE

POINT

SPIN-PP

STRING

   

Biopolymer Movements

Domain Motions

molmovdb

ProMode

   

Chemicals and Drugs

Available Chemicals Directory (DayLight)

Cambridge Structural DB

CCCBDB

CenterWatch Drug Directories

ChemExper

ChemFinder

ChemIDplus
chEBI

ChEMnetBASE
ClogP of Selected Drugs

Comprehensive Medicinal Chemistry DB

Cyberlipid Center

Drug Data Report

Data & Property Calculation Websites

EPA Chemical Registry System

FDA Databases

Handbook of Chemistry and Physics

Henry's Law Constants

Investigational Drugs DB

iResearch

LiqCryst

Landolt-Börnstein

LDB

MDPI

MedChem

Merck Index

Metabolite DB

NIST Online DBs (Gateway)

NLM SIS

NCI DIS 3D DB

Organic Compounds DB

PhRMA New Medicines DB

Screening Compounds Directory

SickList

World Drug Index (DayLight)

ZINC

   

Comparative Modeling

BBDep

DBAli

ModBase

Structural Homology
SWISS MODEL Repository

 

Environmental

ATSDR HazDat Database

Environmental Fate DB

Environmental Fate of Chemicals

US EPA's IRIS

Pesticide DB

U.S. EPA TSCA (Cornell, DayLight, SRC)

 

 

QSAR

MedChem QSAR DB   

Ligand/Receptor Structures

BioMagResBank

CAZy

IceDB

IMB

LigBase
LPC/CSU
Luna

Macromolecular Structures DB (till 1999)

mmdb

MSD

NDB

NIH CMM Links

nrpdb

OCA

PDB

PDBj

PDBSelect PDBSite

PDBsum
Planet

PRECISE

PROCAT

RCSB DBs
RECOORD

Relibase

SCOP

Side-Chain Interactions

SPIN-PP

STING Millenium Suite

wwPDB

XPDB
   

Literature

ACS Journal Archives

BioMedNet Reviews

Chemical Abstracts Service

DERWENT Discovery

Human Cytochrome P450 DB

JSTOR

Institute for Scientific Information

MedPilot

NCBI Databases

Patent Citation Index

PubMed

Pubmed Central

sciBASE

ScienceDirect

SPRESI

WHOLink
   

Patents and Trademarks

espa@cenet
EBI Patent Abstracts

European Patent Office
freepatentsonline

US Patent & Trademark Office

MicroPatent

Trademark.com

World Patent Index
   

Pathways

BioCarta

Empath

Enzymes/Pathways DB

PathDB
PharmGKB

SPAD

TRMP DB

UMBBD

     
Specific Protein Classes

ADME DB
ADME-AP DB

BIOBASE
BioFrontier/P450

DART DB

GPCRDB
Human Protein Reference DB

KChannelDB

MEROPS Peptidase DB

Metalloprotein DB

NucleaRDB

P450

Pharmacological Targets

PKR

PrionDB

Receptor DB

Signaling Gateway

Therapeutic Target DB

 

Data Sets

Cheminformatics.org Data Sets

Damborsky Data Sets

U.S. EPA DSSTox

Dunn Data Set

Hald Data Set

Hansch Data Set

Hasegawa Data Set I

Hasegawa Data Set II

Kelder Data Set

Kubinyi Data Set

Leardi Data Set

Marengo Data Set

Martin DataSet I (1650 MAO inhibitors)

Martin Data Set II (Dopamine D-2 agonists)

Pietrogrande Data set

Selwood Data Set

van de Waterbeemd Data Set

Wade Dataset

 

Education

Biochemistry & Biophysics 

Biochemical Pathways

BioChemLinks

Biochemical Tutorials in Chime

Biochemistry in 3D

Biophysics Textbook Online

Cell Proliferation and Apoptosis

Cytokines (COPE)

King's Biochemistry

Medical Biochemistry

Metabolic Pathways

Molecular Models for Biochemistry

Molecular Biology Web Book

NCBI Bookshelf

Principles of Protein Structure

Proteach

Protein Folding

Protein Structure, Comparative Protein Modelling and Visualisation

Protein Reviews on the Web

Signal Transduction Knowledge Environment

The Structures of Life

  

Biology

Biology Online

The Biology Project

Cell Biology Laboratory Manual

Cell Biology Techniques

Comprehensive Protocol Collection

The ESG Biology Hypertextbook

Microbiology

Microbiology and Immunology Online

  

Bioinformatics

2can Bioinformatics

Bioinformatics Courses

Genome Sequencing Tutorial

Similarity Searching

History of Biotechnology

Microarrays

MIT Biology Hypertextbook

Molecular Biology Protocols

Protocol Online

Web Tools in Molecular Biology

 

Chemistry

Acid and Base pH Tutorial

Analytical Science

Buffer Solutions

Chemistry Hypermedia

Chemistry Tutorial and Resource

Chemistry Tutorials

CMC Modelling Guide

Flavour Matrix

General Chemistry

IUPAC Nomenclature

learnchem.net

Molecular Visualization Resources   

NIST Chemistry WebBook

Physical Chemistry

Tutorials in Organic Chemistry

Virtual Textbook of Organic Chemistry

  

Computational Chemistry

ACCVIP Modules

MD Tutorial

Molecular Monte Carlo

NIH CMM Links

Overview of Molecular Forces

SMILES Notation

SMILES Tutorial

Theoretical Chemistry

Virtual School of Molecular Sciences

 

Data Processing

Artificial Neural Networks

The Data Analysis BriefBook

Genetic Algorithms

MathTools.net

Numerical Recipes

Statistics Textbook

Statistics Tutorials

Drug Design

Molecular Conceptor

 

General

Biology Links

Constants and Equations

Common Errors in English

Fundamental Physical Constants

The Gateway to Educational Materials

Syllabus Web

Intel Museum Home Page

Educational Listservers

Tutornet

Units of Measurement

The World Lecture Hall

 

Mathematics

History of Mathematics

The Integrator

Math Archives

The Mathematical Explorer

Mathematical Topics

  

Medicine

Atlas of Human Anatomy

FreeBooks4Doctors

MEDLINEplus

Psychopharmacology

Virtual Hospital

WebPath

  

Pharmacy & Toxicology

Basic Pharmacokinetics

A Course on Pharmacokinetics

Clinical Pharmacology

A First Course in Pharmacokinetics and Biopharmaceutics

Pharmacology Guide

Tutorials for Toxicology

 

Societies

 

Academia Sinica

The Academy of Molecular Imaging

ACM SIGGRAPH

ACS Division of Chemical Information

ACS Division of Computers in Chemistry

ACS Division of Medicinal Chemistry

AIChE CoMSEF

Alliance for Cellular Signalling

American Academy of Pharmaceutical Physicians

American Association for Laboratory Animal Science

American Association for the Advancement of Science

American Association for Cancer Research

American Association of Colleges of Pharmacy

American Association of Pharmaceutical Scientists

American Cancer Society

The American Chemical Society

The American College of Neuropsychopharmacology

American College of Physicians

American Foundation for Pharmaceutical Education

American Heart Association

American Institute of Physics

American Pharmacists Association

American Society for Biochemistry and Molecular Biology

The American Society for Cell Biology

American Society for Microbiology

American Society for Neurochemistry

American Society for Pharmacology and Experimental Therapeutics

American Statistical Association

Association for the Advancement of Computing in Education

Association for Computing Machinery

Association of C and C++ Users

Association of Clinical Biochemists

Association of Schools of Public Health

Biophysical Society

Biochemical Society

Biotechnology Industry Organization

The British Society for Cell Biology

Canadian Federation of Biological Societies

The Chemical Society of Japan

Swiss Chemical Society Division for Medicinal Chemistry

 

System Dynamics Society

 

UK - QSAR and Chemoinformatics Group (about)

 

The World Association of Theoretically Oriented Chemists

 

     

 

The Chemistry Societies Network

Controlled Release Society

European Association for Theoretical Computer Science

European Federation for Pharmaceutical Sciences

European Federation of Medicinal Chemistry

Federation of American Societies for Experimental Biology

IEEE Computer Society

International AIDS Society

Federation of Asian Chemical Societies

The Human Genome Organisation

Indian Society of Chemists and Biologists

International Association for Development of the Information Society

International Association for Statistical Computing

International Cancer Microenvironment Society

The International Cell Death Society

International Pharmaceutical Federation

International Society for Clinical Biostatistics

International Society for Computational Biology

International Society for Computers and their Applications

International Society for Magnetic Resonance in Medicine

International Society for Nucleosides, Nucleotides, and Nucleic Acids

International Society for the Study of Xenobiotics

International Statistical Institute

International Union of Crystallography

The International X-ray Analysis Society

Molecular Graphics and Modeling Society

Molecular Diversity Preservation International

New York Academy of Sciences

The Protein Society

Pharmaceutical Research and Manufacturers of America

Pharmaceutical Society of Australia

Research!America

The Royal Society of Chemistry

The RSC Molecular Modelling Group

The Society for Biomolecular Screening

The Society for Computer Simulation International

Society for Developmental Biology

The Society for Endocrinology

Society for Industrial and Applied Mathematics

Society for Mathematical Biology

The Society of Chemical Industry

The Society of Environmental Toxicology and Chemistry

Society of Non-Invasive Imaging in Drug Development

 

Publishers

Ashley

Academic Press

ACS Publications

Addison Wesley & Benjamin Cummings

Adenine Press

Adis International

Annual Reviews

Begell House

Benjamin/Cummings

Bentham

BIOS

Birkhauser Boston, Basel

Blackwell

Butterworth-Heinemann

Cambridge University Press

Chapman & Hall (new owners)

Churchill Livingstone

Cold Spring Harbor Laboratory Press

CRC Press

Ellis Horwood

Elsevier

Garland

Gordon and Breach

Hanley and Belfus

Harcourt International

Haworth

HighWire Press

Humana Press

Imperial College Press

IOS Press

JAI Press

JHU Press

Jones & Bartlett

Karger

Kluwer

Lippincott Williams & Wilkins

Macmillan

Marcel Dekker

Mary Ann Liebert, Inc.

McGraw-Hill (Europe)

MIT Press

Morgan Kauffman

Mosby

Nova Science

The National Academies Press

New Science Press

O'Reilly

Oxford University Press

Oxford University Press USA

Parthenon

Plenum Press (new owners)

Portland Press

Prentice Hall

PU Press

Prous

Research Studies Press

Simon & Schuster

Springer Berlin, New York, Vienna

Stockton

Taylor & Francis

Technomic

Thieme

Walter de Gruyter

W.B. Saunders

W.H. Freeman

Wiley

Wiley-VCH

 

Journals

Accounts of Chemical Research

Acta Crystallographica 
- C:
Crystal Structure Communications
- D:
Biological Crystallography
- E:
Structure Reports

Advanced Drug Delivery Reviews

Advances in Environmental Research

Alternatives to Laboratory Animals

American Journal of Cardiovascular Drugs

American Journal of Drug Delivery

American Journal of Pharmacogenomics

Angewandte Chemie

Annals of Clinical Microbiology and Antimicrobials (0)

Annual Reviews

Anti-Cancer Drugs

Antimicrobial Agents and Chemotherapy (6)

Biochemical Journal

Biochemical Pharmacology

Biochemical Society Transactions

Biochemistry

Biochimica et Biophysica Acta

Biodrugs

Bioinformatics

Biological & Pharmaceutical Bulletin (0)

Biomacromolecules

Biomaterials

Biomolecular Engineering

Bioorganic and Medicinal Chemistry

Bioorganic and Medicinal Chemistry Letters

Biophysical Chemistry

Biophysical Journal (6)

Biopolymers

BioSystems

BMC Biochemistry (0)

BMC Bioinformatics (0)

BMC Cancer (0)

BMC Cell Biology (0)

BMC Chemical Biology (0)

BMC Genomics (0)

BMC Molecular Biology (0)

BMC Medical Education (0)

BMC Microbiology (0)

BMC Neuroscience (0)

BMC Pharmacology (0)

BMC Structural Biology (0)

Briefings in Bioinformatics

Briefings in Functional Genomics and Proteomics

British Journal of Pharmacology

British Journal of Clinical Pharmacology

Cancer Research (24*)

Cell

Cell Growth and Differentiation (24*)

ChemBioChem

Chemical & Pharmaceutical Bulletin (0)

Chemical Research in Toxicology

Chemical Reviews

Chemical Senses (24)

Chemico-Biological Interactions

Chemistry and Biodiversity (trial)

Chemistry & Biology

Chemistry - A European Journal

Chemometrics and Intelligent Laboratory Systems

ChemPhysChem

Clinical and Experimental Pharmacology and Physiology

Clinical Drug Investigation

Clinical Pharmacokinetics

CNS Drugs

Colloids and Surfaces A

Combinatorial Chemistry & High Throughput Screening

Combinatorial Chemistry: An Online Journal

Computational Biology and Chemistry

Critical Reviews in Therapeutic Drug Carrier Systems

Crystal Growth & Design

Current Cancer Drug Targets

Current Drug Discovery

Current Drug Metabolism

Current Drug Targets

Current Drug Targets
-
Cardiovascular & Hematological Disorders
-
Infectious Disorders
-
Immune, Endocrine & Metabolic Disorders

Current Gene Therapy

Current Genomics

Current Medicinal Chemistry

Current Medicinal Chemistry
-
Anticancer Agents
-
Central Nervous System Agents
- Immunology, Endocrine & Metabolic Agents

Current Molecular Medicine

Current Opinion in
-
Drug Discovery and Development
-
Investigational Drugs
-
Molecular Therapeutics

 

Current Opinions Online

Current Pharmaceutical Design

Current Pharmaceutical Biotechnology

Current Protein & Peptide Science

Current Topics in Medicinal Chemistry

Drug Data Report

Drug Design Reviews Online

Drug Development and Industrial Pharmacy

Drug Development Research

Drug Discovery and Development (%)

Drug Discovery Today (%)

Drug Discovery World (%)

Drug Metabolism and Disposition (12)

Drug Metabolism Reviews

Drug News & Perspectives

Drug Safety

Drugs

Drugs & Aging

Drugs in R&D

Drugs of the Future

Drugs of Today 

The EMBO Journal (12)

Endocrine Reviews (12)

Endocrinology (12)

Environmental and Molecular Mutagenesis

Environmental Science and Technology

Environmental Toxicology and Chemistry

European Journal of Biochemistry (12)

European Journal of Inorganic Chemistry

European Journal of Medicinal Chemistry

European Journal of Organic Chemistry

European Journal of Pharmaceutical Sciences

European Journal of Pharmaceutics & Biopharmaceutics

European Journal of Pharmacology

Expert Opinion on
- Biological Therapy

- Emerging Drugs

- Investigational Drugs

- Pharmacotherapy

- Therapeutic Patents

- Therapeutic Targets

The FASEB Journal (12)

Fundamental and Clinical Pharmacology

Genes and Development (12)

Genetics (3)

Genome Biology (0)

Genome Research (12)

GeneScreen

Genome Technology (%)

IBM Journal of Research and Development

IBM Systems Journal

IDrugs

IEEE/ACM Transactions on Computational Biology and Bioinformatics

Il Farmaco

In Silico Biology (0)

Interactive Multimedia Electronic Journal of Computer-Enhanced Learning (0)

International Journal of Antimicrobial Agents

International Journal of Computers and their Applications

International Journal of Experimental and Clinical Chemotherapy

International Journal of Experimental and Clinical Pharmacology

International Journal of Molecular Sciences

International Journal of Pharmaceutical Medicine

International Journal of Pharmaceutics

International Journal of Quantum Chemistry

Internet Journal of Chemistry

Investigational New Drugs

Journal of the American Chemical Society

Journal of Antimicrobial Chemotherapy (24)

Journal of Bacteriology (6)

Journal of Biochemical and Biophysical Methods

The Journal of Biochemistry (0)

The Journal of Biological Chemistry (12*)

Journal of Biological Physics

Journal of Biology (0)

Journal of Biomedical Materials Research

Journal of Biomolecular NMR

Journal of Biomolecular Screening

Journal of Biomolecular Structure and Dynamics

Journal of Biopharmaceutical Statistics

The Journal of Cell Biology (6)

The Journal of Cell Science (12*)

Journal of Chemical & Engineering Data

Journal of Chemical Education

Journal of Chemical Information and Computer Sciences

The Journal of Chemical Physics

Journal of Chemometrics

Journal of Clinical Microbiology (6)

Journal of Combinatorial Chemistry

Journal of Computational Chemistry

Journal of Computer-Aided Materials Design

Journal of Computer-Aided Molecular Design

Journal of Controlled Release

 

 

Journal of Drug Targeting

 

Journal of Experimental Biology (12*)

 

The Journal of Experimental Medicine (18)

 

Journal of Exposure Analysis and Environmental Epidemiology

 

The Journal of General Physiology (18)

 

Journal of General Virology (12)

 

Journal of Heterocyclic Chemistry

 

Journal of Lipid Research (24*)

 

Journal of Mathematical Biology

 

Journal of Medicinal Chemistry

 

Journal of Membrane Biology

 

Journal of Microencapsulation

 

Journal of Molecular Biology

 

Journal of Molecular Endocrinology

 

Journal of Molecular Graphics and Modeling

 

Journal of Molecular Modeling

 

Journal of Molecular Neuroscience

 

Journal of Molecular Structure

 

Journal of Natural Products

 

The Journal of Neuroscience (18)

 

The Journal of Organic Chemistry

 

Journal of Pharmaceutical Sciences

 

Journal of Pharmacokinetics and Pharmacodynamics (formerly ...and Biopharmaceutics)

 

Journal of Pharmacological and Biomedical Analysis

 

Journal of Pharmacological and Toxicological Methods

 

The Journal of Pharmacology and Experimental Therapeutics (12)

 

Journal of Pharmacy and Pharmaceutical Sciences (0)

 

Journal of Pharmacy and Pharmacology

 

Journal of Physical and Chemical Reference Data

 

The Journal of Physical Chemistry

 

The Journal of Physiology (12)

 

Journal of Proteome Research

 

Journal of Psychopharmacology

 

Journal of Structural and Functional Genomics (0)

 

Journal of Structural Biology

 

Journal of Virology (6)

 

Langmuir

 

Learning & Memory (12)

 

Lipids in Health and Disease (0)

 

Macromolecules

 

Mathematical Medicine and Biology

 

Matrix Biology

 

Medicinal Research Reviews

 

Methods and Findings in Experimental and Clinical Pharmacology

 

Microbiology (12)

 

Microbiology and Molecular Biology Reviews (12)

 

Molecular Pharmaceutics

 

Mini-Reviews in Medicinal Chemistry

 

Modern Drug Discovery

 

Molecular and Cellular Biology (6)

 

Molecular and Cellular Endocrinology

 

Molecular & Cellular Proteomics

 

Molecular Biology of the Cell (2)

 

Molecular Biology Online

 

Molecular Cancer (0)

 

Molecular Diversity

 

Molecular Endocrinology (12)

 

Molecular Imaging and Biology

 

Molecular Membrane Biology

 

Molecular Medicine

 

Molecular Pharmaceutics

 

Molecular Pharmacology (12)

 

Molecular Physics

 

Molecular Simulation

 

Naunyn-Schmiedeberg's Archives of Pharmacology

 

Nature

 

Nature Biotechnology

 

Nature Immunology

 

Nature Medicine

 

Nature Structural Biology

 

Nature Reviews Drug Discovery

 

Nature Reviews in Molecular and Cell Biology

 

Network Science

 

Neuropsychopharmacology

 

Nucleic Acids Research (12)

 

Pediatric Drugs

 

Perspectives in Drug Discovery and Design

 

Pharmaceutical Development and Technology

 

Pharmaceutical Development and Regulations

 

Pharmaceutical Research

 

Pharmacogenomics

 

The Pharmacogenomics Journal

 

Pharmacological Research

 

Pharmacological Reviews (12)

 

Pharmacology Reviews and Communications

 

Pharmacy and Pharmacology Communications

 

PharmaGenomics (%)

 

PharmSci (0)

 

Physiological Genomics (12) 

 

Proceedings of the National Academy of Sciences (1)

 

Protein Engineering

 

Protein Science

 

Proteins: Structure, Function and Genetics

 

Quantitative Structure-Activity Relationships

 

QSAR and Combinatorial Science

 

SAR and QSAR in Environmental Research

 

Science (12?)

 

Science News

 

Scientific American

Tetrahedron

Tetrahedron Letters

THEOCHEM

The Scientist

Toxicological and Environmental Chemistry

Toxicological Reviews

Toxicology

Toxicology and Applied Pharmacology

Toxicology Letters

Trends in Biochemical Sciences

Trends in Pharmacological Sciences

Xenobiotica 

 

 

Books

 

   M.T.D. Cronin and D.J. Livingstone, eds., Predicting Chemical Fate and Toxicity, CRC Press, Boca Raton, FL (2004) ISBN 0415271800

2003

R.S. Matson, Applying Genomic and Proteomic Microarray Technology in Drug Discovery, CRC Press, Boca Raton, FL (2003) ISBN 0849314690

S.M. Brown, ed., BioComputing: Computer Tools for Biologists, BioTechniques Press, (2003) ISBN 1-881299-17-1

D.J. Abraham, ed., Burger's Medicinal Chemistry and Drug Discovery, 6 Volume Set, Wiley-VCH, Weinheim (2003) ISBN 0-471-37032-0

R.G. Brereton, Chemometrics: Data Analysis for the Laboratory and Chemical Plant, Wiley, New York (2003) ISBN 0-471-48978-6

C.H. Wong, ed., Carbohydrate-based Drug Discovery, Wiley-VCH, Weinheim (2003) ISBN 3-527-30632-3

C.J. Lee, L.H. Lee and C.H. Lu, Development and Evaluation of Drugs from Laboratory through Licensure to Market, CRC Press, Boca Raton, FL (2003) ISBN 0849314011

H. van de Waterbeemd, H. Lennernäs, P. Artursson, eds., Drug Bioavailability: Estimation of Solubility, Permeability, Absorption and Bioavailability, Wiley-VCH, Weinheim (2003) ISBN 3-527-30438-X

H. Henry and A. Norman, eds., Encyclopedia of Hormones, 3 Vols., Academic Press, New York (2003) ISBN 0-12-341103-3   

R.A. Bradshaw and E.A. Dennis, eds., Handbook of Cell Signaling, 3 Vols., Academic Press, New York (2003) ISBN 0-12-124546-2   

J. Gasteiger, ed., Handbooks of Cheminformatics: From Data to Knowledge, 4 Vols., Wiley-VCH, Weinheim (2003) ISBN 3-527-30680-3

C. LeBris, ed., Handbook of Numerical Analysis, vol. 10 Computational Chemistry, Elsevier, Amsterdam (2003) ISBN 0-444-51248-9

B. Testa and J. Mayer, Hydrolysis in Drug and Prodrug Metabolism: Chemistry, Biochemistry and Enzymology, Wiley-VCH, Weinheim (2003) ISBN 3-906390-25-X

S. Peyerimhoff, ed., Interactions in Molecules: Electronic and Steric Effects, Wiley-VCH, Weinheim (2003) ISBN 3-527-27732-3

A.R. Leach, V.J. Gillett, An Introduction to Chemoinformatics, Kluwer, Dordrecht (2003) ISBN 1-4020-1347-7

P. Carroll, ed., Model Organisms in Drug Discovery, Wiley, New York (2003) ISBN 0-470-84893-6

C. Pozrikidis, ed., Modeling and Simulation of Capsules and Biological Cells, Chapman & Hall/CRC Press, Boca Raton, FL (2003) ISBN 1584883596

A. Hillisch and R. Hilgenfeld, eds., Modern Methods of Drug Discovery, Birkhauser, Basel (2003) ISBN 3-7643-6081-X

K.A. Dill and S. Bromberg, Molecular Driving Forces, Garland, Hamden, CT (2003) ISBN 0–8153–2051–5

J.K. Buolamwini and A.A. Adjei, eds., Novel Anticancer Drug Protocols, Humana Press, Totowa, NJ (2003) ISBN 0-89603-963-3

C.G. Wermuth, ed., The Practice of Medicinal Chemistry, 2nd Ed., Academic Press, New York (2003) ISBN 0-12-744481-5

H.-J. Böhm and G. Schneider, eds., Protein-Ligand Interactions: From Molecular Recognition to Drug Design, Wiley-VCH, Weinheim (2003) ISBN 3-527-30521-1

R.J. Simpson, Proteins and Proteomics: A Laboratory Manual, Cold Spring Harbor Laboratory Press (2003) ISBN 0-87969-553-6

R. Benigni, Quantitative Structure-Activity Relationship (QSAR) Models of Mutagens and Carcinogens, CRC Press, Boca Raton, FL (2003) ISBN 0-849-31507-7

P. Carloni and F. Alber, eds., Quantum Medicinal Chemistry, Wiley-VCH, Weinheim, (2003) ISBN 3-527-30456-8

H. Waldmann and M. Koppitz, eds., Small Molecule - Protein Interaction, Springer, Berlin (2003) ISBN 3-540-43984-6

P.E. Bourne and H. Weissig, Structural Bioinformatics (more details) , Wiley, New York (2003) ISBN 0-471-20199-5

2002 [top]

I. B. Holland, S.P.C. Cole, K. Kuchler, and C.F. Higgins, eds., ABC Proteins, Academic Press, New York (2002) ISBN 0-12-352551-9

G. Valiente, Algorithms on Trees and Graphs, Springer, New York (2002) ISBN 3-540-43550-6

H.-W. Mewes, H. Seidel, and B. Weiss, B., eds., Bioinformatics and Genome Analysis, Springer, Berlin (2002) ISBN 3-540-42893-3

V.R. Muzykantov and V.P. Torchilin, eds., Biomedical Aspects of Drug Targeting, Kluwer, Dordrecht (2002) ISBN 1-4020-7232-5

O. Zerbe, ed., BioNMR in Drug Research, Wiley-VCH, Weinheim (2002) ISBN 3-527-30465-7

R.M.J. Cotterill, Biophysics: An Introduction, Wiley, New York (2002) ISBN 0-471-48537-3

D. Kobiler, S. Lustig, and S. Shapira, eds., Blood Brain Barrier: Drug Delivery and Brain Pathology, Kluwer, Dordrecht (2002) ISBN 0-306-46708-9

C. Fall, E. Marland, J. Wagner and J. Tyson, Computational Cell Biology (see also) Springer, New York (2002) ISBN 0-387-95369-8

M. Demeunyck, Ch. Bailly, W.D. Wilson, DNA and RNA Binders: From Small Molecules to Drugs, Wiley, New York (2002) ISBN 3-527-30595-5

H.G. Vogel, W.H. Vogel, J. Sandow, B.A. Schoelkens, eds., Drug Discovery and Evaluation, Springer, Berlin (2002) ISBN 3-540-42396-6

J.K. Seydel and M. Wiese, Drug-Membrane Interactions: Analysis, Drug Distribution, Modeling, Wiley-VCH, Weinheim (2002) ISBN 3-527-30427-4

C.J. Cramer, Essentials of Computational Chemistry: Theories & Models, Wiley, New York (2002) ISBN 0-471-48552-7

D.F.W. Lewis, Guide to Cytochromes P450, Taylor & Francis, London (2002) ISBN 0748408975

K.C. Nicolaou, R. Hanko, and W. Hartwig, eds., Handbook of Combinatorial Chemistry: Drugs, Catalysts, Materials, Wiley-VCH, Weinheim (2002) ISBN 3-527-30509-2

Y. Kwon, Handbook of Essential Pharmacokinetics, Pharmacodynamics and Drug Metabolism for Industrial Scientists, Kluwer, Dordrecht (2002) ISBN 0-306-46820-4

W.P Janzen, ed., High Throughput Screening: Methods and Protocols, Humana Press, Totowa, NJ (2002) ISBN 0-89603-889-0

Novartis Foundation Symposium No. 247, 'In Silico' Simulation of Biological Processes, Wiley, New York (2002) ISBN 0-470-84480-9

H.Y. Mei and A.W. Czarnik, eds., Integrated Drug Discovery Technologies, Marcel Dekker, New York (2002) ISBN 0-8247-0649-8

A.M. Lesk, Introduction to Bioinformatics, Oxford University Press, Oxford (2002) ISBN 0-19-925196-7

S.A. Krawetz and D.D. Womble, eds., Introduction to Bioinformatics: A Theoretical And Practical Approach, Humana Press, Totowa, NJ (2002) ISBN 1-58829-064-6

H. Layton and Alan M. Weinstein, eds., Membrane Transport and Renal Physiology, Springer, Berlin (2002) ISBN 0-387-95481-3

Ch. Bladon, Pharmaceutical Chemistry: Therapeutic Aspects of Biomacromolecules, Wiley, New York (2002) ISBN 0-471-49636-7

O. Pelkonen, A. Baumann, A. Reichel, and M. Lessl, eds., Pharmacokinetic Challenges in Drug Discovery, Springer, New York (2002) ISBN 3-540-42585-3

R.D. Schoenwald, ed., Pharmacokinetics in Drug Discovery and Development, CRC Press, Boca Raton, FL (2002) ISBN 1566769736

A.J. Fletcher, L.D. Edwards, A.W. Fox, P. Stonier, Principles and Practice of Pharmaceutical Medicine, Wiley, New York (2002) ISBN 0-471-98655-0

T. Palzkill, Proteomics, Kluwer, Dordrecht (2002) ISBN 0-7923-7565-3

R. Westermeier and T. Naven, Proteomics in Practice, Wiley-VCH, Weinheim (2002) ISBN 3-527-30354-5

H. Kimko and S. B. Duffull, eds., Simulation for Designing Clinical Trials, Marcel Dekker, New York (2002) ISBN 0-8247-0862-8

N.B. la Thangue and L.R. Bandara, eds., Targets for Cancer Chemotherapy: Transcription Factors and Other Nuclear Proteins, Humana Press, Totowa, NJ (2002) ISBN 0-89603-938-2

P. Krogsgaard-Larsen, U. Madsen, and T. Liljefors, eds., A Textbook of Drug Design and Development, 3rd Ed., Taylor & Francis, London (2002) ISBN 0-415-28287-X

R.H. Guy and J. Hadgraft, Transdermal Drug Delivery, Marcel Dekker, New York (2002) ISBN 0-8247-0861-X

Pagé, M, ed., Tumor Targeting in Cancer Therapy, Humana Press, Totowa, NJ (2002) ISBN 0-89603-919-6

T. Elsaesser and H. J. Bakker, eds., Ultrafast Hydrogen Bonding Dynamics and Proton Transfer Processes in the Condensed Phase, Kluwer, Dordrecht (2002) ISBN 1-4020-1093-1

2001 [top]

A. Rahman, M.I. Choudhary, and W. Thompson, Bioassay Techniques for Drug Development, Taylor & Francis, London (2001) ISBN 9058230511

T. Lengauer, ed., Bioinformatics - From Genomes to Drugs, Wiley-VCH, Weinheim (2001) ISBN 3-527-29988-2

D.W. Mount, Bioinformatics: Sequence and Genome Analysis (see also), Cold Spring Harbor Laboratory Press (2001) ISBN 0-87969-597-8

S.W. Looney, Biostatistical Methods, Humana Press, Totowa, NJ (2001) ISBN 0-89603-951-X

R.J. Gillespie and P.L.A. Popelier, eds., Chemical Bonding and Molecular Geometry - From Lewis to Electron Densities, Oxford University Press, Oxford (2001) ISBN 0-19-510495-1

W. Koch, M.C. Holthausen, A Chemist's Guide to Density Functional Theory, 2nd Ed., Wiley, New York (2001) ISBN 3-527-30372-3

A.K. Ghose and V.N Viswanadhan, eds., Combinatorial Library Design and Evaluation: Principles, Software, Tools, and Applications in Drug Discovery, Dekker, New York (2001) ISBN 0-8247-0487-8

O.M. Becker, A.D. MacKerell, Jr., B. Roux, and M. Watanabe, eds., Computational Biochemistry and Biophysics, Marcel Dekker, New York (2001) ISBN 0-8247-0455-X

D. Young, Computational Chemistry: A Practical Guide for Applying Techniques to Real World Problems (online version), Wiley, New York (2001) ISBN 0-471-33368-9

L. Fauci and S. Gueron, eds., Computational Modeling in Biological Fluid Dynamics, Springer, Berlin (2001) ISBN 0-387-95233-0

J.M. Bower and H. Bolouri, eds., Computational Modeling of Genetic and Biochemical Networks, MIT Press, Cambridge, MA (2001) ISBN 0-262-02481-0

I. Schlichting and U. Egner, Data Mining in Structural Biology: Signal Transduction and Beyond, Springer, Berlin (2001) ISBN 3-540-41494-0

G. Kahl, The Dictionary of Gene Technology: Genomics, Transcriptomics, Proteomics, Wiley-VCH, Weinheim (2001) ISBN 3-527-30100-3

A. Hillery, A. Lloyd, and J. Swarbrick, eds., Drug Delivery and Targeting, Gordon and Breach, Newark, NJ (2001) ISBN 0-415-27197-5

W.M. Saltzman, Drug Delivery: Engineering Principles for Drug Therapy, Oxford University Press USA, New York (2001) ISBN 0-19-508589-2

E.M. Scolnick, ed., Drug Discovery and Design, Academic Press, New York (2001) ISBN 0-1203-4256-1

R.B. Raffa, ed., Drug-Receptor Thermodynamics: Introduction and Applications, Wiley, New York (2001) ISBN 0-471-72042-9

G. Molema and D.K.F. Meijer, eds., Drug Targeting: Organ-Specific Strategies, Wiley, New York (2001) ISBN 3-527-29989-0

H. Schreier, ed., Drug Targeting Technology: Physical, Chemical, and Biological Methods, Marcel Dekker, New York ( 2001) ISBN 0-8247-0580-7

C. Ioannides, Enzyme Systems that Metabolise Drugs and Other Xenobiotics, Wiley, New York (2001) ISBN 0-471-89466-4

B.A. Hohne and T.H. Pierce, eds., Expert System Applications in Chemistry, Oxford University Press, Oxford (2001) ISBN 0-8412-1681-9

M. R. Reddy and M.D. Erion, eds., Free Energy Calculations in Rational Drug Design, Kluwer, Dordrecht (2001) ISBN 0-306-46676-7

M.P. Starkey and R. Elaswarapu, Genomics Protocols, Humana Press, Totowa, NJ (2001) ISBN 0-89603-774-6

D. Edwards and M. Hamson, Guide to Mathematical Modelling, Palgrave McMillan, Houndmills, Basingstoke, Hampshire, UK (2001) ISBN 033379446X

R. Seethala and P. Fernandes, eds., Handbook of Drug Screening, Marcel Dekker, New York (2001) ISBN 0-8247-0562-9

R. Todeschini and V. Consonni, Handbook of Molecular Descriptors, Wiley, New York (2001) ISBN 3-527-29913-0

T. Clark, ed., Highlights in Computational Chemistry, Springer, Berlin (2001) ISBN 3-540-67876-X

G.L. Patrick, An Introduction to Medicinal Chemistry, 2nd Ed., Oxford University Press (2001) ISBN 0-19-850533-7

D.C. Liebler, Introduction to Proteomics, Humana Press, Totowa, NJ (2001) ISBN 0-89603-991-9

A.B. Koudriavtsev, R.F. Jameson, W. Linert, The Law of Mass Action, Springer, Berlin (2001) ISBN 3-540-41078-3

A.G. Volkov, ed., Liquid Interfaces in Chemical, Biological, and Pharmaceutical Applications, Marcel Dekker, New York (2001) ISBN 0-8247-0457-6

W. Jakubetz, ed., Methods in Reaction Dynamics, Springer, New York (2001) ISBN 3-540-41487-8

S.M. Lin and K.F. Johnson, eds., Methods of Microarray Data Analysis, Kluwer, Dordrecht (2001) ISBN 0-7923-7564-5

E. Rietman, Molecular Engineering of Nanosystems, Springer, New York (2001) ISBN 0-387-98988-9

J.P. Sauvage, ed., Molecular Machines and Rotors, Springer, New York (2001) ISBN 3-540-41382-0

P. Comba, Molecular Modeling of Inorganic Compounds, 2nd Ed., Wiley, New York (2001) ISBN 3-527-29915-7

M. Negwer and H.G. Scharnow, Organic-Chemical Drugs and Their Synonyms, 8th Ed., Wiley-VCH, Weinheim (2001) ISBN 3-527-30247-6

W. Kalow, U. A. Meyer, and R. Tyndale, eds., Pharmacogenomics, Marcel Dekker, New York (2001) ISBN 0-8247-0544-0

B. Testa, H. van de Waterbeemd, G. Folkers, and R. Guy, eds., Pharmacokinetic Optimization in Drug Research: Biological, Physicochemical, and Computational Strategies, Wiley, New York (2001) ISBN 3-906390-22-5

N. Washington, C. Washington, and C. Wilson, Physiological Pharmaceutics: Barriers to Drug Absorption, Taylor & Francis, London (2001) ISBN 0748405623

L.A. Kuhn, M.F. Thorpe, eds., Protein Flexibility and Folding, Elsevier, Amsterdam (2001) ISBN 0-444-50816-3

K.P. Murphy, ed., Protein Structure, Stability, and Folding, Humana Press, Totowa, NJ (2001) ISBN 0-89603-682-0

H.-D. Höltje and W. Sippl, eds., Rational Approaches to Drug Design, Prous, Barcelona (2001) ISBN 84-8124-176-8

A. Riganelli, ed., Reaction and Molecular Dynamics, Springer, New York (2001) ISBN 3-540-41202-6

G. Pifat-Mrzljak, ed., Supramolecular Structure and Function 7, Kluwer, Dordrecht (2001) ISBN 0-306-46672-4

L.A. Eriksson, ed., Theoretical Biochemistry - Processes and Properties of Biological Systems, Elsevier, Amsterdam (2001) ISBN 0-444-50292-0

 

C. Cobelli, D. Foster, and G. Toffolo, Tracer Kinetics in Biomedical Research: From Data to Model, Kluwer, Dordrecht, The Netherlands (2001) ISBN 0-306-46427-6

A.R. Leach, Molecular Modelling: Principles and Applications, Addison Wesley Longman, Essex, UK (2001) ISBN 0582382106

2000 [top]

R. Plonsey and R.C. Barr, eds., Bioelectricity: A Quantitative Approach, Kluwer, Dordrecht (2000) ISBN 0-306-46235-4

P.F. Torrence, Biomedical Chemistry: Applying Chemical Principles to the Understanding and Treatment of Disease, Wiley, New York (2000) ISBN 0-471-32633-X

D.J. Begley, M.W. Bradbury, and J. Kreuter, eds., The Blood–Brain Barrier and Drug Delivery to the CNS, Marcel Dekker, New York (2000) ISBN 0-8247-0394-4

G. Jung, ed., Combinatorial Chemistry: Synthesis, Analysis, Screening, Wiley-VCH, Weinheim (2000) ISBN 3-527-29869-X

X. Xia, Data Analysis in Molecular Biology and Evolution, Kluwer, Dordrecht (2000) ISBN 0-7923-7767-2

R.C. Basselt, Disposition of Toxic Drugs and Chemicals in Man, 5th Ed., Chemical Toxicology Institute, Foster City, CA (2000) ISBN 0-9626523-5-0

R.J. Tallarida, Drug Synergism and Dose-Effect Data Analysis, CRC Press, Boca Raton, FL (2000) ISBN 1584880457

G.E. Francis and C. Delgado, eds., Drug Targeting, Humana Press, Totowa, NJ (2000) ISBN 0-89603-531-X

D.E. Clark, ed., Evolutionary Algorithms in Molecular Design, Wiley-VCH, Weinheim (2000) ISBN 3-527-30155-0

Novartis Foundation Symposium No. 229, From Genome to Therapy: Integrating New Technologies with Drug Development, Wiley, New York (2000) ISBN 0-471-62744-5

S. Suhai, ed., Genomics and Proteomics: Functional and Computational Aspects, Kluwer, Dordrecht (2000) ISBN 0-306-46312-1

J. Katsaras and T. Gutberlet, Lipid Bilayers: Structure and Interactions, Springer, New York (2000) ISBN 3-540-67555-8

A. Hinchliffe, Modelling Molecular Structures, 2nd Ed., Wiley, New York (2000) ISBN 0-471-62380-6

M. Karelson, Molecular Descriptors in QSAR/QSPR, Wiley, New York (2000) ISBN 0-471-35168-7

K. Gundertofte and F.S. Jřrgensen, eds., Molecular Modeling and Prediction of Bioactivity, Proceedings of the 12th European Symposium on QSAR, Kluwer, Dordrecht, The Netherlands (2000) ISBN 0-306-46217-6

R. Carbo-Dorca, D. Robert, L. Amat, X. Girones, and E. Besalu, eds., Molecular Quantum Similarity in QSAR and Drug Design, Springer, Berlin (2000) ISBN 3-540-67581-7

C.H. Wu and J.W. McLarty, Neural Networks and Genome Informatics, Elsevier, Amsterdam (2000) ISBN 0-08-042800-2

C.A. Floudas and P.M. Pardalos, eds., Optimization in Computational Chemistry and Molecular Biology: Local and Global Approaches, Kluwer, Dordrecht, The Netherlands (2000) ISBN 0-7923-6155-5

J.B. Dressman and H. Lennernaes, eds., Oral Drug Absorption: Prediction and Assessment, Marcel Dekker, New York (2000) ISBN 0-8247-0272-7

J.L. McGuire, Pharmaceuticals, 4 Volume Set, Wiley-VCH, Weinheim (2000) ISBN 3-527-29874-6

D.A. Smith, H. van de Waterbeemd, and D.K. Walker, Pharmacokinetics and Metabolism in Drug Design (see also), Wiley-VCH, Weinheim (2000) ISBN 3-527-30197-6

M. Kanehisa, Post-genome Informatics, Oxford University Press, Oxford, UK (2000) ISBN 0-19-850326-1

D. Webster, ed., Protein Structure Prediction: Methods and Protocols, Humana Press, Totowa, NJ (2000) ISBN 0-89603-637-5

D.A. McQuarrie, Statistical Mechanics, Palgrave McMillan, Houndmills, Basingstoke, Hampshire, UK (2000) ISBN 1891389157

E. Fanchon, Structure and Dynamics of Biomolecules, Oxford University Press, Oxford, UK (2000) ISBN 0-19-850452-7

J. Devillers and A. Balaban, eds., Topological Indices and Related Descriptors in QSAR and QSPAR, Taylor and Francis (2000) ISBN 9-05699-239-2

G. Klebe, ed.Virtual Screening: An Alternative or Complement to High Throughput Screening, Kluwer, Dordrecht, The Netherlands (2000) ISBN 0-7923-6633-6

H.-J. Böhm and G. Schneider, eds., Virtual Screening for Bioactive Molecules, Wiley-VCH, Weinheim (2000) ISBN 3-527-30153-4

 

B. Thaller, Visual Quantum Mechanics, Springer, Berlin (2000) ISBN 0-387-98929-3

1999 [top]

M. Charton, ed., Advances in Quantitative Structure-Property Relationships, Vol. 2, JAI Press, Greenwich, CT (1999) ISBN 0762300671

B.A. Teicher, Antiangiogenic Agents in Cancer Therapy, Humana Press, Totowa, NJ (1999) ISBN 0-89603-641-3

C.K. Atterwill, P. Goldfarb, and W. Purcell, eds., Approaches to High Throughput Toxicity Screening, Taylor & Francis, London (1999) ISBN 0748407529

S. Misener and S.A. Krawetz, eds., Bioinformatics Methods and Protocols, Humana Press, Totowa, NJ (1999) ISBN 0-89603-732-0

S. Wu-Pong and Y. Rojanasakul, eds., Biopharmaceutical Drug Design and Development, Humana Press, Totowa, NJ (1999) ISBN 0-89603-691-X

A. Hinchliffe, Chemical Modeling: From Atoms to Liquids, Wiley, New York (1999) ISBN 0-471-99903-2

S. Miertus and G. Fassina, eds., Combinatorial Chemistry and Technology, Marcel Dekker, New York (1999) ISBN 0-8247-1960-3

G. Walter and M. Contreras, Compartmental Modeling with Networks, Birkhauser, Basel (1999) ISBN 0-8176-4019-3

J. Leszczynski, ed., Computational Molecular Biology, Elsevier, Amsterdam (1999) ISBN 0-444-50030-8

A. McPherson, Crystallization of Biological Macromolecules, Cold Spring Harbor Laboratory Press (1999) ISBN 0-87969-617-6

G. Rhodes, Crystallography Made Crystal Clear, Academic Press, London (1999) ISBN 0-12-587072-8

I.K.M. Morton and J. M. Hall, Dictionary of Pharmacological Agents, Properties and Synonyms, Kluwer, Dordrecht, The Netherlands (1999) ISBN 0751404993

T.S. Gaginella and A. Guglietta, eds., Drug Development: Molecular Targets for GI Diseases, Humana Press, Totowa, NJ (1999) ISBN 0-89603-589-1

E. Mathiowitz, Encyclopedia of Controlled Drug Delivery, 2 Volume Set, Wiley, New York (1999) ISBN 0-471-14828-8

L.D. Davis, K. De Jong, M.D. Vose, L.D. Whitley, eds., Evolutionary Algorithms, Springer, Berlin (1999) ISBN 0-387-98826-2

D. Graur and W.H. Li, Fundamentals of Molecular Evolution, Palgrave McMillan, Houndmills, Basingstoke, Hampshire, UK (1999) ISBN 0878932666

G.L. Amidon and W. Sadée, eds., Membrane Transporters as Drug Targets, Kluwer, Dordrecht (1999) ISBN 0-306-46094-7

J.A. Jacquez, Modeling with Compartments, BioMedWare, Ann Arbor, MI (1999)

P.M. Dean and R.A. Lewis, eds., Molecular Diversity in Drug Design, Kluwer, Dordrecht, The Netherlands (1999) ISBN 0-7923-5980-1

P.B. Balbuena and J.M. Seminario, eds., Molecular Dynamics - From Classical to Quantum Methods, Elsevier, Amsterdam (1999) ISBN 0-444-82910-5

G.M. Keseru and I. Kolossvary, Molecular Mechanics & Conformational Analysis in Drug Design, Blackwell, Oxford (1999) ISBN 0632052899

D.A. McQuarrie and J.D. Simon,

L.B. Kier and L.H. Hall, Molecular Structure Description, Academic Press, London (1999) ISBN 0-12-406555-4

U. Holzgrabe, I. Wawer, and B. Diehl, NMR Spectroscopy in Drug Development and Analysis, Wiley, New York (1999) ISBN 3-527-30092-9

J. Zupan and J. Gasteiger, Neural Networks in Chemistry and Drug Design, 2nd Ed., Wiley, New York (1999) ISBN 3-527-29779-0

M. Negwer, Organic-Chemical Drugs and Their Synonyms, Book/CD-ROM, 7th Ed., Wiley-VCH, Weinheim (1999) ISBN 3-527-29980-7

J.T. Wang, B.A. Shapiro, and D. Shasha, Pattern Discovery in Biomolecular Data: Tools, Techniques, and Applications, Oxford University Press, Oxford, UK (1999) ISBN 0-19-511940-1

Z.B. Maksic and W.J. Orville-Thomas, eds., Pauling's Legacy: Modern Modelling of the Chemical Bond, Elevier, Amsterdam (1999) ISBN 0-444-82508-8

M.D. Taylor and G. Amidon, eds., Peptide-Based Drug Design, Oxford University Press USA, New York (1999) ISBN 0-8412-3058-7

R.L. Bronaugh and H.I. Maibach, eds., Percutaneous Absorption: Drugs, Cosmetics, Mechanisms, Methodology, Dekker, New York (1999) ISBN 0-8247-1966-2

A. Baszkin and W. Norde, eds., Physical Chemistry of Biological Interfaces, Marcel Dekker, New York (1999) ISBN 0-8247-7581-3

K. Machida, Principles of Molecular Mechanics, Wiley, New York (1999) ISBN 0-471-35727-8

O. Jardetzky and J.-F. Lefčvre, eds., Protein Dynamics, Function and Design, Kluwer, Dordrecht (1999) ISBN 0-306-45939-6

M. Lutz and T. Kenakin, Quantitative Molecular Pharmacology and Informatics in Drug Discovery, Wiley, New York (1999) ISBN 0-471-98861-8

R.D. Levine, Quantum Mechanics of Molecular Rate Processes, Dover Publications (1999) ISBN 048640692X

D.G. Truhlar, W.J. Howe, A.J. Hopfinger, J. Blaney, and R.A. Dammkoehler, eds., Rational Drug Design, CHIPS, Weimar, TX (1999)

D.G. Truhlar, W.J. Howe, and A.J. Hopfinger, eds., Rational Drug Design, Springer, Berlin (1999) ISBN 0-387-98753-3

A.L. Parrill and M. R. Reddy, eds., Rational Drug Design - Novel Methodology and Practical Applications, Oxford University Press, Oxford (1999) ISBN 0-8412-3603-8

B.P. Doctor, P. Taylor, D.M. Quinn and R.L. Rotundo, eds., Structure and Function of Cholinesterases and Related Proteins, Kluwer, Dordrecht (1999) ISBN 0-306-46050-5

Alan Fersht, Structure and Mechanisms in Protein Science: A Guide to Enzyme Catalysis and Protein Folding, Palgrave McMillan, Houndmills, Basingstoke, Hampshire, UK (1999) ISBN 0716732688

 

J. Wess, ed., Structure-Function Analysis of G Protein-Coupled Receptors, Wiley, New York (1999) ISBN 0-471-25228-X

T.S. Sorensen, Surface Chemistry and Electrochemistry of Membranes, Marcel Dekker, New York (1999) ISBN 0-8247-1922-0

 

G.L. Amidon, P.I. Lee and E.M. Topp, eds., Transport Processes in Pharmaceutical Systems, Marcel Dekker, New York (1999) ISBN 0-8247-6610-5

1998 [top]

H. Kubinyi, G. Folkers, and Y.C. Martin, eds., 3D QSAR in Drug Design, Vols. I - III, Kluwer, Dordrecht, The Netherlands (1993, 1998, 2002) ISBNs 90-72199-14-6, 0-7923-4790-0, 0-7923-4791-9

A.L. Harvey, ed., Advances in Drug Discovery Techniques, Wiley, New York (1998) ISBN 0-471-97509-5

T.J. Franklin and G.A. Snow, Biochemistry and Molecular Biology of Antimicrobial Drug Action, Kluwer, Dordrecht (1998) ISBN 0-412-82200-8

P. Baldi and S. Burnak, Bioinformatics: The Machine Learning Approach, MIT Press, Cambridge, MA (1998) ISBN 0-262-02442-X

E.C. Foulkes, Biological Membranes in Toxicology, Taylor and Francis, London (1998) ISBN 1560327626

J.M. Goodman, Chemical Applications of Molecular Modeling (see also), Royal Society of Chemistry, London (1998) ISBN 0-85404-579-1

K.R. Beebe, R.J. Pell and M.B. Seasholtz, Chemometrics: A Practical Guide, Wiley, New York (1998) ISBN 0-471-12451-6

E.M. Gordon and F. Kerwin, eds., Combinatorial Chemistry and Molecular Diversity in Drug Discovery, Wiley, New York (1998) ISBN 0-471-15518-7

D. Raabe, Computational Materials Science: The Simulation of Materials Microstructures and Properties, Wiley, New York (1998) ISBN 3-527-29541-0

S.L. Salzberg, D.B. Searls, and S. Kasif, eds., Computational Methods in Molecular Biology, Elsevier, Amsterdam (1998) ISBN 0-444-82875-3

P. Deuflhard, J. Hermans, B. Leimkuhler, A.E. Mark, S. Reich, and R.D. Skeel, eds., Computational Molecular Dynamics: Challenges, Methods, Ideas, Springer, New York (1998) ISBN 3-540-63242-5

S. Grabley and R. Thiericke, eds., Drug Discovery from Nature, Springer, Berlin (1998) ISBN 3-540-64844-5

P. Armitage and T. Colton, eds., Encyclopedia of Biostatistics, 6 Volumes, Wiley, New York (1998) ISBN 0-471-97576-1

P. von Ragué Schleyer, ed., Encyclopedia of Computational Chemistry, 5 Volume Set, Wiley, New York (1998) ISBN 0-471-96588-X

R.T. Borchardt, R.M. Freidinger, T.K. Sawyer, and P.L. Smith, eds., Integration of Pharmaceutical Discovery and Development: Case Histories, Kluwer, Dordrecht, The Netherlands (1998) ISBN 0-306-45743-1

F. Jensen, Introduction to Computational Chemistry, Wiley, New York (1998) ISBN 0-471-98085-4

I.M. Chaiken and K.D. Janda, eds., Molecular Diversity and Combinatorial Chemistry - Libraries and Drug Discovery, Oxford University Press, Oxford (1998) ISBN 0-8412-3450-7

M.F. Schlecht, Molecular Modeling on the PC, Wiley, New York (1998) ISBN 0-471-18567-1

L.V. Yakushevich, Nonlinear Physics of DNA, Wiley, New York (1998) ISBN 0-471-97824-8

M. Negwer and H.-G. Scharnow, Organic-Chemical Drugs and Their Synonyms, 8th Ed., Wiley-VCH, Weinheim (1998) ISBN 3-527-30247-6

 

T.M. Klapötke and Axel Schulz, Quantum Chemical Methods in Main-Group Chemistry, Wiley, New York (1998) ISBN 0-471-97242-8

D. Möbius, R. Miller, eds., Proteins at Liquid Interfaces, Elsevier, Amsterdam (1998) ISBN 0-444-82944-X

F. Diederich and H. Kuenzer, eds., Recent Trends in Molecular Recognition, Springer, Berlin (1998) ISBN 3-540-65072-5

P. Leff, ed., Receptor-Based Drug Design, Marcel Dekker, New York (1998) ISBN 0-8247-0162-3

H. Smith, ed., Smith and Williams' Introduction to the Principles of Drug Design and Action, 3rd Ed., Gordon and Breach, Newark, NJ (1998) ISBN 9057020378

P.W. Codding, ed., Structure-Based Drug Design: Experimental and Computational Approaches, Kluwer, Dordrecht (1998) ISBN 0-7923-5201-7

 

K. Gubernator and H.-J. Böhm, eds., Structure-Based Ligand Design, Wiley-VCH (1998) ISBN 3-527-29343-4

C. Párkányi, ed., Theoretical Organic Chemistry, Elsevier, Amsterdam (1998) ISBN 0-444-82660-2

1997 [top]

B.A. Teicher, Anticancer Drug Development Guide: Preclinical Screening, Clinical Trials, and Approval, Humana Press, Totowa, NJ (1997) ISBN 0-89603-461-5

N. Anand and S. Sharma, eds., Approaches to Design and Synthesis of Antiparasitic Drugs, Elsevier, Amsterdam (1997) ISBN 0-444-89476-4

E. Wolff, ed., Burger's Medicinal Chemistry and Drug Discovery, 5 Volume Set, 5th Ed., Wiley, New York (1997) ISBN 0-471-57561-5

Z.J. Witczak and K. A. Nieforth, eds., Carbohydrates in Drug Design, Dekker, New York (1997) ISBN 0-8247-9982-8

G. Naray-Szabo and A. Warshel, eds., Computational Approaches to Biochemical Reactivity, Kluwer, Dordrecht, The Netherlands (1997) ISBN 0-7923-4512-6

E. Horowitz, S. Sahni, and S. Rajasekaran, Computer Algorithms: Pseudocode Version and C++ Version, Palgrave McMillan, Houndmills, Basingstoke, Hampshire, UK (1997) ISBNs 0716783169 and 0716783150

H. van de Waterbeemd, B. Testa, and G. Folkers, eds., Computer-Assisted Lead Finding and Optimization, Proceedings of the 11th European Symposium on QSAR, VCH, Weinheim (1997) ISBN 3-906390-16-0

M. Springborg, ed., Density-Functional Methods in Chemistry and Materials Science, Wiley, New York (1997) ISBN 0-471-96759-9

Y.C. Martin and P. Willett, eds., Designing Bioactive Molecules: Three-Dimensional Techniques and Applications, ACS Publication, Oxford University Press USA, New York (1997) ISBN 0-8412-3490-6

A. de Boer and W. Sutanto, eds., Drug Transport Across the Blood-brain Barrier, Gordon and Breach, Newark, NJ (1997) ISBN 9057020327

A.T. Balaban, ed., From Chemical Topology to Three-Dimensional Geometry, Kluwer, Dordrecht, The Netherlands (1997) ISBN 0-306-45462-9

D.L. Massart, B.G.M. Vandeginste, L.M.C. Buydens, S. De Jong, P.J. Lewi, and J. Smeyers-Verbeke, Handbook of Chemometrics and Qualimetrics, Part A and Part B, Elsevier, Amsterdam (1997) ISBNs 0-444-89724-0 and 0-444-82853-2

S. Srinivasan, Homology Folding of Proteins, Springer, Berlin (1997) ISBN 3-540-63605-6

J.P. Devlin, ed., High Throughput Screening, Marcel Dekker, New York (1997) ISBN 0-471-18545-0

H.Y. Aboul-Enein and I.W. Wainer, The Impact of Stereochemistry on Drug Development and Use, Wiley, New York (1997) ISBN 0471596442

G.A. Jeffrey, An Introduction to Hydrogen Bonding, Oxford University Press (1997) ISBN 0-19-509549-9

A. Gringauz, Introduction to Medicinal Chemistry: How Drugs Act and Why, Wiley, New York (1997) ISBN 0-471-18545-0

L.T. Biegler, T. Coleman, A.R. Conn, and F.N. Santosa, eds., Large-Scale Optimization with Applications, Springer, Berlin (1997) ISBN 0-387-98288-4

N. Hamasaki and K. Mihara, eds., Membrane Proteins: Structure, Function and Expression Control, Karger, Basel (1997) ISBN 3-8055-6465-1

A. Fink and Y. Goto, eds., Molecular Chaperones in the Life Cycle of Proteins, Marcel Dekker, New York (1997) ISBN 0-8247-0100-3

A.K. Rappé and C.J. Casewit, Molecular Mechanics Across Chemistry, Palgrave McMillan, Houndmills, Basingstoke, Hampshire, UK (1997) ISBN 0935702776

L. Banci and P. Comba, eds., Molecular Modeling & Dynamics of Bioinorganic Systems, Kluwer, Dordrecht (1997) ISBN 0-7923-4824-9

J. Sangster, Octanol-Water Partition Coefficients: Fundamentals and Physical Chemistry, Wiley, New York (1997) ISBN 0-471-97397-1

P.G. Welling, Pharmacokinetics: Processes, Mathematics, and Applications, 2nd Ed., ACS Professional Reference Book, Oxford University Press USA, New York (1997) ISBN 0-8412-3481-7

D.A. McQuarrie and J.D. Simon, Physical Chemistry: A Molecular Approach, Palgrave McMillan, Houndmills, Basingstoke, Hampshire, UK (1997) ISBN 0935702997

P.S. Charifson, ed., Practical Application of Computer-Aided Drug Design, Dekker, New York (1997) ISBN 0-8247-9885-6

F. Chen and G. Schuurmann, eds., Quantitative Structure-Activity Relationships in Environmental Sciences - VII, SETAC Press, Pensacola, FL (1997) NA

S. Senn, Statistical Issues in Drug Development, Wiley-VCH, Weinheim (1997) ISBN 0-471-97488-9

M. Nendza, Structure-Activity Relationships in Environmental Sciences, Kluwer, Dordrecht, The Netherlands (1997)  ISBN 0-412-56430-0

P. Veerapandian, ed., Structure-Based Drug Design, Dekker, New York (1997) ISBN 0-8247-9869-4

J.E. Ladbury and P.R. Connelly, eds., Structure-Based Drug Design: Thermodynamics, Modeling and Strategy, Springer, Berlin (1997) ISBN 3-540-63250-6

S. Suhai, ed., Theoretical and Computational Methods in Genome Research, Kluwer, Dordrecht, The Netherlands (1997) ISBN 0-306-45503-X

D. Hadzi, ed., Theoretical Treatments of Hydrogen Bonding, Wiley, New York (1997) ISBN 0-471-97395-5

A.J. Stone, The Theory of Intermolecular Forces, Clarendon, Oxford (1997) ISBN 0-19-855883-X

T.J. Zielinski and M.L. Swift, eds., Using Computers in Chemistry and Chemical Education, ACS Professional Reference Book, Oxford University Press USA, New York (1997) ISBN 0-8412-3465-5

P. Coppens, X-Ray Charge Densities and Chemical Bonding, Oxford University Press USA, New York (1997) ISBN 0-19-509823-4

1996 [top]

M. Charton, ed., Advances in Quantitative Structure-Property Relationships, Vol. 1, JAI Press, Greenwich, CT (1996) ISBN 1559385499

M.G. Ford, R. Greenwood, G.T. Brooks, and R. Franke, eds., Bioactive Compound Design: Possibilities for Industrial Use, SCI Bios Scientific Publishers (1996) ISBN: 1-85996-165-7

K.M. Mertz, Jr. and B. Roux, eds., Biological Membranes: A Molecular Perspective from Computation and Experiment, Birkhauser, Boston (1996) ISBN 0-8176-3827-X

T.F. Weiss, Cellular Biophysics, MIT Press, Cambridge, MA (1996) ISBN 0-262-23188-3

J.A. Jacquez, Compartmental Analysis in Biology and Medicine, 3rd. ed., BioMedWare, Ann Arbor, MI (1996) ISBN 0472100637

J.-P. Doucet and J. Weber, Computer-Aided Molecular Design, Academic Press, London (1996) ISBN 0-12-221285-1

P.C. Jurs, Computer Software Applications in Chemistry, 2nd Ed., Wiley, New York (1996) ISBN 0-471-10587-2

R.C. Jackson, Computer Techniques in Preclinical and Clinical Drug Development, CRC Press, Boca Raton, FL (1996) ISBN 0849376823

O. Jardetzky and J.-F. Lefčvre, eds., Dynamics and the Problem of Recognition in Biological Macromolecules, Kluwer, Dordrecht, The Netherlands (1996) ISBN 0-306-45388-6

A. Amann, J.C.A. Boeyens, and W. Gans, eds., Fundamental Principles of Molecular Modeling, Kluwer, Dordrecht, The Netherlands (1996) ISBN 0306453053

J. Devillers, ed.,  Genetic Algorithms in Molecular Modeling, Academic Press, London (1996) ISBN 0-12-213810-4

N.C. Cohen, Guidebook on Molecular Modeling in Drug Design, Academic Press, London (1996) ISBN 0-12-178245-X

J.J. Collado-Vides, B. Magasanik, and T.F. Smith, eds., Integrative Approaches to Molecular Biology, MIT Press, Cambridge, MA (1996) ISBN 0-262-03239-2

V. Pliska, B. Testa, and H. van de Waterbeemd, eds., Lipophilicity in Drug Action and Toxicology, Vol. 4 in Methods and Principles in Medicinal Chemistry, VCH, Weinheim (1996) ISBN 3-527-29383-3

J.P. Mesirov, K. Schulten, and D.W. Sumners, eds., Mathematical Approaches to Biomolecular Structure and Dynamics, Springer, Berlin (1996) ISBN 0-387-94838-4

J.B.C. Findlay, ed., Membrane Protein Models, BIOS, Oxford (1996) ISBN 185996080

R.T. Borchardt. P.L. Smith, and G. Wilson, eds., Models for Assessing Drug Absorption and Metabolism, Kluwer, Dordrecht, The Netherlands (1996) ISBN 0-306-45243-X

S. Schulze-Kremer, Molecular Bioinformatics: Algorithms and Applications, Wlater de Gruyter, Berlin (1996) ISBN 3-11-014113-2

I.M. Chaiken and K.D. Janda, eds., Molecular Diversity and Combinatorial Chemistry: Libraries and Drug Discovery, ACS Conference Proceedings Series. Oxford University Press USA, New York (1996) ISBN 0-8412-3450-7

J.S. Murray and K. Sen, eds., Molecular Electrostatic Potentials: Concepts and Applications, Elsevier, Amsterdam (1996) ISBN 0-444-82353-0

H.-D. Höltje and G.Folkers, Molecular Modeling: Basic Principles and Applications, Wiley-VCH, Weinheim (1996) ISBN 3-527-29384-1

A.R. Leach, Molecular Modelling: Principles and Applications, Addison Wesley Longman, Essex, UK (1996) ISBN 0582239338

J. Devillers, ed., Neural Networks in QSAR and Drug Design, Academic Press, London (1996) ISBN 0-12-213815-5

J.F. Rusling, Nonlinear Computer Modeling of Chemical and Biochemical Data, Academic Press, London (1996) ISBN 0-12-604490-2

C.G. Wermuth, ed., The Practice of Medicinal Chemistry, Academic Press, London (1996) ISBN 0-12-744640-0

P. Carey, Protein Engineering and Design, Academic Press, London (1996) ISBN 0-12-159640-0

J.M. Seminario, ed., Recent Developments and Applications of Modern Density Functional Theory, Elsevier, Amsterdam (1996) ISBN 0-444-82404-9

H. van de Waterbeemd, ed., Structure-Property Correlations in Drug Research, Academic Press, London (1996) ISBN 0-12-711650-8

 

P. Krogsgaard-Larsen, U. Madsen, and T. Liljefors, eds., Textbook of Drug Design and Development, 2nd Ed., Taylor & Francis, London (1996) ISBN 041528287X

 

D. Frenkel and B. Smit, Understanding Molecular Simulation: From Algorithms to Applications, Academic Press, San Diego (1996) ISBN 0-12-267370-0

1995 [top]

D.Z. D'Argenio, ed., Advanced Methods of Pharmacokinetic and Pharmacodynamic Systems Analysis, Kluwer, Dordrecht, The Netherlands (1995) ISBN 0-306-45018-6

P. Mohan and M. Baba, eds., Anti-AIDS Drug Development, Gordon and Breach, Newark, NJ (1995) ISBN 3718656981

D. Schomburg and U. Lessel, Bioinformatics: From Nucleic Acids and Proteins to Cell Metabolism, Wiley - VCH, New York (1995) ISBN 3527300724

H. van de Waterbeemd, ed., Chemometric Methods in Molecular Design, Vol. 2 in Methods and Principles in Medicinal Chemistry, VCH, Weinheim (1995) ISBN 3527300449

R.J. Crossley, Chirality and Biological Activity of Drugs, CRC Press, Boca Raton, FL (1995) ISBN 0849391407

C. Hansch and T. Fujita, eds., Classical and Three-Dimensional QSAR in Agrochemistry, ACS Symposium Series, Oxford University Press USA, New York (1995) ISBN 0-8412-3321-7

G.H. Grant and W.G. Richards, Computational Chemistry, Oxford University Press (1995) ISBN 0-19-855740-X

E.C. Herrmann and R. Franke, eds., Computer-Aided Drug Design in Industrial Research, Springer, Berlin (1995) ISBN 3-540-59041-2

C.H. Reynolds, M.K. Holloway, and H.R. Cox, eds., Computer-Aided Molecular Design: Application in Agrochemicals, Materials and Pharmaceuticals, ACS Symposium Series, Oxford University Press USA, New York (1995) ISBN 0-8412-3160-5

J.M. Goodfellow, ed., Computer Modeling in Molecular Biology, VCH, Weinheim (1995) ISBN 3527300627

S. Fraga, J.M.R. Parker, and J. M. Pocock, Computer Simulations of Protein Structures and Interactions, Springer, Berlin (1995) ISBN 3-540-60133-3

D. Livingstone, Data Analysis for Chemists. Applications to QSAR and Chemical Product Design, Oxford University Press (1995) ISBN 0-19-855728-0

P. Stonier, ed., Discovering New Medicines: Careers in Pharmaceutical Research and Development, Wiley, New York (1995) ISBN 0-471-94194-8

C. Hansch, A. Leo, and D. Hoekman, Exploring QSAR, Vol. I and Vol. II, ACS Professional Reference Book, Oxford University Press USA, New York (1995) ISBNs 0-8412-2988-0 and 0-8412-2991-0

K. de Jong, ed., Evolutionary Computation, Massachusetts Institute of Technology (1995)

H. Gutfreund, Kinetics for the Life Sciences: Receptors, Transmitters and Catalysts, Cambridge University Press, Cambridge, UK (1995) ISBN 0521480272

J.M. Seminario and P. Politzer, eds., Modern Density Functional Theory: A Tool For Chemistry, Elsevier, Amsterdam (1995) ISBN 0-444-82171-6

R. Carbó-Dorca, ed., Molecular Similarity and Reactivity: From Quantum Chemical to Phenomenological Approaches, Kluwer, Dordrecht, The Netherlands (1995) ISBN 0-7923-3309-8

P.M. Dean, Molecular Similarity in Drug Design, Blackie Academic, London (1995) ISBN 0-7514-0221-4

J.J. Stezowski, J.L. Huang and M.C. Shao, eds., Molecular Structure: Chemical Reactivity & Biological Activity, Oxford University Press (1995) ISBN 0198552793

P.M. Dean, G. Jolles, and C. G. Newton, eds., New Perspectives in Drug Design, Academic Press, London (1995) ISBN 012208070X

D.J. Craik, NMR in Drug Design, CRC Press, Boca Raton, FL (1995) ISBN 0849378249

M.D. Taylor and G.L. Amidon, eds., Peptide-Based Drug Design: Controlling Transport and Metabolism, ACS Professional Reference Book, ACS Washington, DC (1995) ISBN 0-8412-3058-7

R. Gregory, ed., Protein-Solvent Interactions, Marcel Dekker, New York (1995) ISBN 0824792394

T. Fujita, ed., QSAR and Drug Design: New Developments and Applications, Pharmacochemistry Library Vol. 23, Elsevier, Amsterdam (1995) 044488615X

F. Sanz, J. Giraldo and F. Manaut, eds., QSAR and Molecular Modeling: Concepts, Computational Tools and Biological Applications, Proceedings of the 10th European Symposium on QSAR, Prous, Barcelona (1995) ISBN 84-8124-079-6

M. D'Incalci, D.R. Newell and W.J. Zeller, eds. Novel Approaches in Anticancer Drug Design, Karger, Basel (1995) ISBN 3805560435

1994 [top]

H. van de Waterbeemd, ed., Advanced Computer-Assisted Techniques in Drug Discovery, Vol. 3 in Methods and Principles in Medicinal Chemistry, VCH, Weinheim (1994) ISBN 3527292489

P.N. Kourounakis and E. Rekka, eds., Advanced Drug Design And Development: A Medicinal Chemistry Approach, Taylor & Francis, London (1994) ISBN 0133367932

F.A. Valeriote, T.H. Corbett, H. Baker, eds., Anticancer Drug Discovery and Development: Natural Products and New Molecular Models, Kluwer, Dordrecht (1994) ISBN 0-7923-2928-7

M.R. Waterman and M. Hildebrand, eds., Assessment of the Use of Single Cytochrome P450 Enzymes in Drug Research, Springer, Berlin (1994) ISBN 0-387-58343-2

D.B. Weiner and W.V. Williams, eds., Biological Approaches to Rational Drug Design, CRC Press, Boca Raton, FL (1994) ISBN 0849394228

J.A.F. Op den Kamp, ed., Biological Membranes: Structure, Biogenesis and Dynamics, Springer, New York (1994) ISBN 0-387-57731-9

L.A. Blumenfeld and A. N. Tikhonov, Biophysical Thermodynamics of Intracellular Processes, Springer, New York (1994) ISBN 0-387-94179-7

D.B. Weiner and W.V. Williams, eds., Chemical and Structural Approaches to Rational Drug Design, CRC Press, Boca Raton, FL (1994) ISBN 0849378184

G. Wipff, ed., Computational Approaches in Supramolecular Chemistry, Kluwer, Dordrecht, The Netherlands (1994) ISBN 0-7923-2767-5

D.W. Rogers, Computational Chemistry Using the PC, 2nd Ed., Wiley, New York (1994) ISBN: 0-471-18599-X

P. Wrede and G. Schneider, Concepts in Protein Engineering and Design, Walter de Gruyter, Berlin (1994) ISBN 3-11-012975-2

D.A. Smith, ed., Modeling the Hydrogen Bond, American Chemical Society (1994) ISBN 0841229813

P.M. Dean, ed., Molecular Similarity in Drug Design, Kluwer, Dordrecht, The Netherlands (1994) ISBN 0-7514-0221-4

M. Sandler and J. Smith, Design of Enzyme Inhibitors as Drugs, Vol. 2, Oxford University Press USA, New York (1994) ISBN 0-19-262134-3

L.A. Segel, Modeling Dynamic Phenomena in Molecular & Cellular Biology, Cambridge University Press (1984) ISBN 052127477X

J.G. Vinter and M. Gardner, eds., Molecular Modelling and Drug Design, Macmillan, London (1994) ISBN 0849377722

P. Workman, ed., New Approaches in Cancer Pharmacology: Drug Design and Development, Vol. 2, Springer, Berlin (1993) ISBN 0-387-58153-7

Y. Yamaguchi, J.D. Goddard, Y. Osamura and  H. Schaefer, A New Dimension to Quantum Chemistry: Analytic Derivative Methods in Ab Initio Molecular Electronic Structure Theory, Oxford University Press (1994) ISBN 0195070283

T.V. Ramabhadran, Pharmaceutical Design and Development: A Molecular Biology Approach, Ellis Horwood, New York (1994) ISBN 013553884X

 

N.R. Cutler, J.J. Sramek, P.K. Narang, eds., Pharmacodynamics and Drug Development: Perspectives in Clinical Pharmacology, Wiley, New York (1994) ISBN 0-471-95052-1

 

P. Politzer and J.S. Murray, eds., Quantitative Treatments of Solute/Solvent Interactions, Elsevier, Amsterdam (1994) ISBN 0-444-82054-X

J.-L. Calais, Quantum Chemistry Workbook: Basic Concepts and Procedures in the Theory of the Electronic Structure of Matter, Wiley, New York (1994) ISBN 0-471-59435-0

C.J. Cramer and D.G. Truhlar, eds., Structure and Reactivity in Aqueous Solution: Characterization of Chemical and Biological Systems, ACS Symposium Series, ACS Washington, DC (1994) ISBN 0-8412-2980-5

1993 [top]

J.M. Goodfellow and D. S. Moss, Computer Modelling of Biomolecular Processes, Ellis Horwood, Chichester ( 1993) ISBN 0131619446

J.M. Vergnaud, Controlled Drug Release Of Oral Dosage Forms, Taylor & Francis, London (1993) ISBN 0131749544

S. Sideman and K. Hijikata, eds., Imaging in Transport Processes, Begell House, New York (1993) ISBN 1-57600-012-6

A. Yacobi, J.P. Skelly, V.P. Shah, and L.Z. Benet, eds., Integration of Pharmacokinetics, Pharmacodynamics, and Toxicokinetics in Rational Drug Development, Kluwer, Dordrecht (1993) ISBN 0-306-44356-2

S.M. Roberts and C.R. Ganellin, Medicinal Chemistry, 2nd Ed., Academic Press, London (1993) ISBN 0-12-274120-X

N.A. Kolchanov, Vadim A. Ratner,eds., Modelling & Computer Methods in Molecular Biology & Genetics, Nova Science, Hauppauge, NY (1993) ISBN 1560720778

P. Workman, ed., New Approaches in Cancer Pharmacology: Drug Design and Development, Vol. 1, Springer, Berlin (1993) ISBN 0-387-56089-0

H. Kubinyi, QSAR: Hansch Analysis and Related Approaches, Vol. 1 in Methods and Principles in Medicinal Chemistry, VCH, Weinheim (1993) 352730035X

A.F. Casy, The Steric Factor in Medicinal Chemistry, Kluwer, Dordrecht (1993) ISBN 0-306-44289-2

V.P. Shah and H.I. Maibach, eds., Topical Drug Bioavailability, Bioequivalence, and Penetration, Kluwer, Dordrecht, The Netherlands (1993) ISBN 0-306-44367-8

C.G. Wermuth, ed., Trends in QSAR and Molecular Modelling 92, Proceedings of the 9th European Symposium on QSAR, Kluwer, Dordrecht, The Netherlands (1993) ISBN 90-72199-13-8

1992 [top]

R.F. Rekker and R. Mannhold, Calculation of Drug Lipophilicity: The Hydrophobic Fragmental Constant Approach, VCH, Weinheim (1992) ISBN 3527284222

S. Fraga, ed., Computational Chemistry: Structure, Interactions and Reactivity, Elsevier, Amsterdam (1992) ISBN 0-444-88512-9

F. A. Valeriote, T. H. Corbett, and L. H. Baker, eds., Cytotoxic Anticancer Drugs: Models and Concepts for Drug Discovery and Development, Kluwer, Dordrecht (1992) ISBN 0-7923-1629-0

C.R. Beddell, ed., The Design of Drugs to Macromolecular Targets, Wiley, New York (1992) ISBN 0471920800

C.G. Wermuth, N. Koga, H. Konig and B.W. Metcalf, eds., Medicinal Chemistry for the 21st Century, Blackwell, London (1992) ISBN 0632034084

L. Bianci and P. Comba, eds., Molecular Modeling and Dynamics of Bioinorganic Systems, Elsevier, Amsterdam (1992) ISBN 0792348249

J. Bertrán, ed., Molecular Aspects of Biotechnology: Computational Models and Theories, Elsevier, Amsterdam (1992) ISBN 0-7923-1728-9

H.D. Burns, R.E. Gibson, R.F. Dannals, P.K.S. Siegl, eds., Nuclear Imaging in Drug Discovery, Development, and Approval, Birkhauser, Basel (1992) ISBN 0-8176-3601-3

C. Propst and T. Perun, eds., Nucleic Acid Targeted Drug Design, Marcel Dekker, New York (1992) ISBN 0-8247-8662-9

R.B. Silverman, The Organic Chemistry of Drug Design & Drug Action, Academic Press, London (1992) ISBN 0-12-643730-0

G. Wilson, S.S. Davis,L. Illum, and A. Zweibaum, eds., Pharmaceutical Applications of Cell and Tissue Culture to Drug Transport, Kluwer, Dordrecht (1992) ISBN 0-306-44082-2

C.G. Smith, The Process of New Drug Discovery and Development, CRC Press, Boca Raton, FL (1992) ISBN 0849342112

J.L.M. Hermens and A. Opperhuizen, eds., QSAR in Environmental Toxicology IV, Elsevier, Amsterdam (1992) ISBN 0444894713

W. Draber and T. Fujita, eds., Rational Approaches to Structure, Activity and Ecotoxicology of Chemicals, CRC Press, Boca Raton, FL (1992) ISBN 0849358590

M.J. Waring and B.A.J. Ponder, eds., The Search for New Anti-Cancer Drugs, Kluwer, Dordrecht (1992) ISBN 0-7923-8959-X

1991 [top]

G.A. Jeffrey and J.F. Piniella , eds., The Application of Charge Density Research to Chemistry and Drug Design, Kluwer, Dordrecht (1991) ISBN 0-306-43880-1

G.H. Coombs and M. North, eds., Biochemical Protozoology as a Basis for Drug Design, Taylor & Francis, London (1991) ISBN 0748400001

C. Silipo and V. Vittoria, eds., Rational Approaches to the Design of Bioactive Compounds, Proceedings of the 8th European Symposium on QSAR, Elsevier, Amsterdam (1991) ISBN 044488839X

P. Willett, Three-dimensional Chemical Structure Handling, Research Studies Press, Taunton, England and Wiley, New York (1991) ISBN 047193108X

1990 [top]

C. Hansch, P.G. Sammes, and J.B. Taylor, eds., Comprehensive Medicinal Chemistry, Vols. I - VI, Pergamon, Oxford (1990) ISBNs 0080370578, 0080370624, 0080325300, and 0080370586

M.A. Johnson and G.M. Maggiora, eds., Concepts and Applications of Molecular Similarity, Wiley, New York (1990) ISBN 0-471-62175-7

C.E. Bugg and S.E. Ealick, eds., Crystallographic and Modeling Methods in Molecular Design, Springer, Berlin (1990) ISBN 0-387-97210-2

R.A. Maxwell and S.B. Eckhardt, Drug Discovery: A Casebook and Analysis, Humana Press, Totowa, NJ (1990) ISBN 0-89603-180-2

V.H.L. Lee, ed., Peptide and Protein Drug Delivery, Marcel Dekker, New York (1990) ISBN 0-8247-7896-0

W. Karcher and J. Devillers, eds., Practical Applications of Quantitative Structure-Activity Relationships (QSAR) in Environmental Chemistry and Toxicology, Kluwer, Dordrecht, The Netherlands (1990) ISBN 0-7923-0827-1

D.A. McQuarrie, Quantum Chemistry, Palgrave McMillan, Houndmills, Basingstoke, Hampshire, UK (1990) ISBN 093570213X

D.J.W. Grant and T. Higuchi, Solubility Behavior of Organic Compounds, Wiley, New York (1990) ISBN 0-471-61314-2

S.R. Nahorski, ed., Transmembrane Signalling, Intracellular Messengers and Implications for Drug Development, Wiley, New York (1990) ISBN 0-471-92432-6

1989 [top]

W.G. Richards, ed., Computer-Aided Molecular Design, IBC, London and Wiley, New York (1989) ISBN 0895737388

T.J. Perun and C.L. Propst, eds., Computer-Aided Drug Design: Methods and Applications, Marcel Dekker, New York (1989) ISBN 0-8247-8037-X

R. Rein and A. Golombek, Computer-Assisted Modeling of Receptor-Ligand Interactions: Theoretical Aspects & Applications to Drug Design, Wiley-Liss, New York (1989) ISBN 0471508136

Y.C. Martin, E. Kutter,and V. Austel, eds., Modern Drug Research: Path to Better and Safer Drugs, Marcel Dekker, New York (1989) ISBN 0-8247-7902-9

P.S. Magee, D.R. Henry, and J.H. Block, eds., Probing Bioactive Mechanisms, ACS Symposium Series, American Chemical Society, Washington, DC (1989) ISBN 0841217025

J.L. Fauchčre, ed., QSAR: Quantitative Structure-Activity Relationships in Drug Design, Proceedings of the 7th European Symposium on QSAR, Alan R. Liss, New York (1989) ISBN 0471509876

J.E. Leffler and E. Grunwald, Rates and Equilibria of Organic Reactions: As Treated by Statistical, Thermodynamic and Extrathermodynamic Methods, Dover Publications (1989) ISBN 0486660680

1988 [top]

O. Exner, Correlation Analysis of Chemical Data, Kluwer, Dordrecht (1988) ISBN 0-306-41559-3

G.M. Crippen and T.F. Havel, Distance Geometry and Molecular Conformation, Research Studies Press, Taunton, England and Wiley, New York (1988) ISBN 0471920614

A. Korolkovas, Essentials of Medicinal Chemistry, 2nd Ed., Wiley, New York (1988) ISBN 0-471-88356-5

J.M. van Rossum and R.A.A. Maes, Pharmacokinetics: Classic and Modern, VCH, Weinheim (1988) ISBN 3-527-27343-3

J.J. L'Italien, ed., Proteins: Structure and Function, Kluwer, Dordrecht (1988) ISBN 0-306-42299-9

1987 [top]

P.C. Jurs, T.L. Isenhour, and C.L. Wilkins, BASIC Programming for Chemists: An Introduction, Wiley, New York (1987) ISBN 0-471-85613-4

R.T. Borchardt, C.R. Creveling, and P.M. Ueland, Biological Methylation and Drug Design: Experimental and Clinical Roles of S-Adenosylmethionine, Humana Press, Totowa, NJ (1987) ISBN 0-89603-102-0

M. Williams and J.B. Malick, Drug Discovery and Development, Humana Press, Totowa, NJ (1987) ISBN 0-89603-108-X

G.C. Maitland, M. Rigby, E.B. Smith, and W.A. Wakeham, Intermolecular Forces: Their Origin and Determination, Clarendon Press, Oxford (1987) ISBN 0198556411

P.M. Dean, Molecular Foundations of Drug-Receptor Interaction, Cambridge University Press, Cambridge (1987) ISBN 0521302552

A.S.V. Burgen, G.C.K. Roberts, and M.S. Tute, eds., Molecular Graphics and Drug Design, Elsevier, Amsterdam (1987) ISBN 0444807748

D. Hadzi and B. Jerman-Blazic, eds., QSAR in Drug Design and Toxicology, Proceedings of the 6th European Symposium on QSAR, Elsevier, Amsterdam (1987) ISBN 0444427678

K.L.E. Kaiser, ed., QSAR in Environmental Toxicology, Vol. 2, D. Reidel, Dordrecht, The Netherlands (1987) ISBN 90-277-2555-1

E.J. Lien, SAR: Side Effects and Drug Design, Marcel Dekker, New York (1987) ISBN 0-8247-7686-0

1986 [top]

H. van de Waterbeemd, Hydrophobicity of Organic Compounds, CompuDrug, Vienna (1986)

N. Trinajstic, ed., Mathematics and Computational Concepts in Chemistry, Ellis Horwood, Chichester (1986) ISBN 0470202890

L.B. Kier and L.H. Hall, Molecular Connectivity in Structure-Activity Analysis, Research Studies Press, Letchworth, England and Wiley, New York (1986) ISBN 0471909831

W.J. Dunn III, J.H. Block, and R.S. Pearlman, eds., Partition Coefficient: Determination and Estimation, Pergamon, New York (1986) ISBN 0080336493

K.C. James, Solubility and Related Properties, Marcel Dekker, New York (1986) ISBN 0-8247-7484-1

G. Naray-Szabo, ed., Theoretical Chemistry of Biological Systems, Elsevier, Amsterdam (1986) ISBN 0444425977

1985 [top]

R.T. Borchardt, A.J. Repta, and V.J. Stella, Directed Drug Delivery: A Multidisciplinary Approach, Humana Press, Totowa, NJ (1985) ISBN 0-89603-089-X

G.R. Wilkinson and M.D. Rawlins, eds., Drug Metabolism and Disposition: Considerations in Clinical Pharmacology, Kluwer, Dordrecht (1985) ISBN 0-85200-902-X

T. Clark, A Handbook of Computational Chemistry: A Practical Guide to Chemical Structure and Energy Calculations, Wiley, New York (1985) ISBN 0-471-88211-9

J.D. McKinney, ed., Monograph on Structure-Activity Correlation in Mechanism Studies and Predictive Toxicology, Environmental Health Perspectives Vol. 61, NIH (1985)

J.K. Seydel, ed., QSAR and Strategies in the Design of Bioactive Compounds, Proceedings of the 5th European Symposium on QSAR, VCH, Weinheim (1985) ISBN 0895734338

M. Tichý, ed., QSAR in Toxicology and Xenobiochemistry, Pharmacochemistry Library Vol. 8, Elsevier, Amsterdam (1985) ISBN 0444424830

A. Levitzki, Receptors: A Quantitative Approach, Benjamin/Cummings, Meno Park, CA (1985) ISBN 0805364102

A. Albert, Selective Toxicity, 7th Ed., Chapman and Hall (1985) ISBN 0412260107

1984 [top]

K.R. Harrap, W. Davis, and A.H. Calvert, eds., Cancer Chemotherapy and Selective Drug Development, Kluwer, Dordrecht (1984) ISBN 0-89838-673-X

B.R. Kowalski, ed., Chemometrics, Reidel, Dordrecht, The Netherlands (1984) ISBN 9027718466

S.S. Ivengar, ed., Computer Modeling of Complex Biological Systems, CRC Press, Boca Raton, FL (1984) ISBN 0849352088

G. Jolles and K.R.H. Wooldridge, eds., Drug Design: Fact or Fantasy, Academic Press, London (1984) ISBN 0123881803

J.N. Murrell, S. Carter, S.C. Farantos, P. Huxley, and A.J.C. Varandas, Molecular Potential Energy Functions, Wiley, Chichester (1984) ISBN 0471905402

J.C. Randall, ed., NMR and Macromolecules. Sequence, Dynamics and Domain Structure, ACS, Washington (1984) ISBN 0841208298

I. Ugi, J. Dugundij, R. Kopp, and D. Marquarding, Perspectives in Theoretical Stereochemistry, Springer, New York (1984) ISBN 0-387-13391-7

M. Kuchar, ed., QSAR in Design of Bioactive Compounds, Proceedings of the 1st Telesymposium on QSAR, Prous, Barcelona (1984)

K.L.E. Kaiser, ed., QSAR in Environmental Toxicology, Vol. 1., D. Reidel, Dordrecht, The Netherlands (1984) ISBN 90-277-1776-1

R. Franke, Theoretical Drug Design Methods, Akademie-Verlag, Berlin (1984) ISBN 0444996346

1983 [top]

W.G. Richards and D.L. Cooper, Ab Intitio Molecular Orbital Calculations for Chemists, 2nd Ed., Clarendon Press, Oxford (1983) ISBN 0198553692

M.J. Geisow and A.N. Barrett, eds., Computing in Biological Science, Elsevier, Amsterdam (1983) ISBN 0444804358

V.E. Golender and A.B. Rozenblit, Logical and Combinatorial Algorithms for Drug Design, Research Studies Press, Letchworth, England and Wiley, New York (1983) ISBN 0471902667

J.C. Dearden, ed., Quantitative Approaches to Drug Design, Proceedings of the 4th European Symposium on QSAR, Elsevier, Amsterdam (1983) ISBN 0444422005

W.G. Richards, Quantum Pharmacology, Butterworths, London (1977, 1983) ISBN 0-408-709502

J.G. Topliss, ed., Quantitative Structure-Activity Relationships of Drugs, Academic Press, New York (1983) ISBN 0126951500

1982 [top]

J. Zupan, Clustering of Large Data Sets, Research Studies Press, Letchworth, England and Wiley, New York (1982) ISBN 0471104558

J. Shorter, Correlation Analysis of Organic Reactivity, Research Studies Press, Letchworth, England and Wiley, New York (1982) ISBN 0471104795

U. Burkert and N.L. AllingerMolecular Mechanics, ACS Monographs, ACS, Washington, DC (1982) ISBN 0841205841

D.B. Davies, W. Saenger, and S.S. Danyluk, eds., Structural Molecular Biology: Methods and Applications, Plenum Press, New York (1980) ISBN 0306409828

W. Bartmann and G. Snatzke, eds., Structure of Complexes between Biopolymers and Low Molecular Weight Molecules, Wiley, Chichester (1982) ISBN 019855611X

G.C. Maitland, M. Rigby, E.B. Smith, and W.A. Wakeham, Intermolecular Forces: Their Origin and Determination, Clarendon Press, Oxford (1987) ISBN

1981 [top]

G.M. Crippen, Distance Geometry and Conformational Calculations, Research Studies Press, Letchworth, England and Wiley, New York (1981) ISBN 0471279919

G.C. Maitland, M. Rigby, E.B. Smith, and W.A. Wakeham, Intermolecular Forces: Their Origin and Determination, Clarendon Press, Oxford (1981) ISBN 019855611X

O. Jardetzky and G.C.K. Roberts, NMR in Molecular Biology, Academic Press, New York (1981) ISBN 0123805805

H. Weinstein and J.P. Green, eds., Quantum Chemistry in Biomedical Sciences, The New York Academy of Sciences (1981) ISBN 0897661222

J.F. Cavalla, ed., Risk-Benefit Analysis in Drug Research, Kluwer, Dordrecht (1981) ISBN 0-85200-364-1

1980 [top]

J. Knoll and F. Darvas, eds., Chemical Structure - Biological Activity Relationships, Proceedings of the 2nd European Symposium on QSAR, Akademiai Kiado, Budapest (1980) ISBN 0080263887

E. Clementi, Computational Aspects of Large Chemical Systems, Springer, Berlin (1980) ISBN 0387100148

P. Jenner and B. Testa, Concepts in Drug Metabolism, Part A, Marcel Dekker,  New York (1980) ISBN 0-8247-6906-6

L.F. Prescott and W.S. Nimmo, eds., Drug Absorption, Kluwer, Dordrecht (1980) ISBN 0-85200-528-8

T.E. Gram, ed., Extrahepatic Metabolism of Drugs and Other Foreign Compounds, Kluwer, Dordrecht (1980) 0-85200-515-6

A. Ben-Naim, Hydrophobic Interactions, Plenum Press, New York (1980) ISBN 030640222X

S.H. Yalkowsky, A.A. Sinkula, and S.C. Valvani, eds., Physical Chemical Properties of Drugs, Marcel Dekker, New York (1980) ISBN 0824710088

A.T. Balaban, A. Chiriac, I. Motoc, and Z. Simon, Steric Fit in Quantitative Structure-Activity Relations, Lecture Notes in Chemistry vol. 15, Springer, Berlin (1980) ISBN 0-387-09755-4

1979 [top]

J.P. Tollenaere, H. Moereels, and L.A. Raymaekers, Atlas of the Three-dimensional Structure of Drugs, Elsevier, Amsterdam (1979) ISBN 0444801456

J.-K. Seydel and K.-J. Schaper, Chemische Struktur und biologische Aktivität von Wirkstoffen, Verlag Chemie, Weinheim (1979)

E.C. Olson and R.E. Christoffersen, eds., Computer-Assisted Drug Design, ACS Symposium Series 112, ACS, Washington (1979)

A.J. Stuper, W.E. Brugger, and P.C. Jurs, eds., Computer-Assisted Studies of Chemical Structure and Biological Function, Wiley, New York (1979) ISBN 0471038962

A. Albert, Selective Toxicity, 7th Ed., Chapman and Hall (1985) ISBN 0470264829

A. Leo and C. Hansch, Substituent Constants for Correlation Analysis in Chemistry and Biology, Wiley, New York (1979) ISBN 0471050628

R.D. O'Brien, ed., The Receptors: A Comprehensive Treatise, Plenum, New York (1979) ISBN 0306401002

1978 [top]

B. Pullman, ed., Intermolecular Interactions: From Diatomics to Biopolymers, Wiley, Chichester (1978) ISBN 047199507X

A.A. Rubin, New Drugs:  Discovery and Development, Marcel Dekker (1978) ISBN 0-8247-6634-2

Y.C. Martin, Quantitative Drug Design: A Critical Introduction, Dekker, New York (1978) ISBN 0824765745

R. Franke and P. Oehme, eds., Quantitative Structure-Activity Analysis, Proceedings of the 3th European Symposium on QSAR, Akademie-Verlag, Berlin (1978)

1977 [top]

H.F. Schaeffer III, Applications of Electronic Structure Theory, Plenum Press, New York (1977) ISBN 0306335042

J.A. Keverling-Buisman, ed., Biological Activity and Chemical Structure, Elsevier, Amsterdam (1977) ISBN 0444416595

G.C.K. Roberts, ed., Drug Action at the Molecular Level, MacMillan Press, London (1977) ISBN 0839111258

J.M. van Rossum, ed., Kinetics of Drug Action, Springer, Berlin (1977) ISBN 0387080236

H.F. Schaeffer III, Methods of Electronic Structure Theory, Plenum Press, New York (1977) ISBN 0306335034

1976 [top]

P. Schuster, G. Lundel and C. Sandorfy, eds., The Hydrogen Bond, North-Holland, Amsterdam (1976) 

L.B. Kier and L.H. Hall, Molecular Connectivity in Chemistry and Drug Research, Academic Press, New York (1976) ISBN 0124065600

M. Tichy, ed., Quantitative Structure-Activity Relationships, Proceedings of the Conference on Chemical Structure-Biological Activity Relationships, Prague, June 1973, Birkhauser, Basel (1976) ISBN 3764307447

D. McQuarrie, Statistical Mechanics, Harper and Row, New York (1976)

1975 [top]

E. Bergmann and B. Pullman, eds., Molecular and Quantum Pharmacology, D. Reidel, Dordrecht (1975) ISBN 90-277-0525-9

F. Franks, ed., Water: A Comprehensive Treatise - Aqueous Solution of Amphiphiles & Macromolecules, Vol. 4, Plenum Press, New York (1975) ISBN 0306371847

1974 [top]

M.D. Joesten and L.J. Schaad, Hydrogen Bonding, Marcel Dekker, New York (1974) ISBN 0824762118

1973 [top]

C. Tanford, The Hydrophobic Effect: Formation of Micelles and Biological Membranes, Wiley, New York (1973) ISBN 0894646214

V.A. Filov, A.A. Golubev, E.I. Liublina, and N.A. Tolokontsev, Quantitative Toxicology, Wiley, New York (1973)

W.P. Purcell, G.E. Bass, and J.M. Clayton, Strategy of Drug Design: A Guide to Biological Activity, Wiley, New York (1973) ISBN 0471702366

C.J. Cavallito, ed., Structure-Activity Relationships, Pergamon, New York (1973) ISBN 0080168906

F. Franks, ed., Water: A Comprehensive Treatise - , Vol. 3, Plenum Press, New York (1973) ISBN 0306371839

1972 [top]

H.F. Schaeffer III, The Electronic Structure of Atoms and Molecules, Addison-Wesley, Reading, MA (1972)

G. Doggett, The Electronic Structure of Molecules: Theory & Application to Inorganic Molecules, Pergamon Press (1972) ISBN 0080165885

1971 [top]

W.G. Richards and D.L. Cooper, Ab Intitio Molecular Orbital Calculations for Chemists, Clarendon Press, Oxford (1983) ISBN 019855348X

M.A. Slifkin, Charge Transfer Interactions of Biomolecules, Academic Press, London (1971) ISBN 0126488509

L.B. Kier, Molecular Orbital Theory in Drug Research, Academic Press, New York (1971) ISBN 0124065503

1970 [top]

J.A. Pople and D.L. Beveridge, Approximate Molecular Orbital Theory, McGraw-Hill, New York (1970) ISBN 0070505128

J.R. Trounce, ed., A Guide to Drugs in Current Use, Kluwer, Dordrecht (1970) ISBN 0-85200-020-0

O. Kennard and D.G. Watson, Molecular Data and Dimensions, Vols. I - XIII, Crystallographic Data Center, Cambridge (1970)

R. Porter and M. O'Connor, Molecular Properties of Drug Receptors, J. & A. Churchill, London (1970) ISBN 0700014608

1969 [top]

M.J.S. Dewar, The Molecular Orbital Theory of Organic Chemistry, McGraw-Hill, New York (1969) ISBN 0070166374

R.E. Dickerson and I. Geis, The Structure and Function of Proteins, Harper and Row, New York (1969)

1967 [top]

W.D. Stein, The Movement of Molecules across Cell Membranes, Academic Press, New York (1967) ISBN 0126646503

1961 [top]

H. Scheraga, Protein Structure, Academic Press, New York (1961)

1960 [top]

J.C. Slater, Quantum Theory of Atomic Structure, McGraw-Hill, New York (1960)

Book Series

ACS Symposium Series, Oxford University Press USA, New York

E. De Clercq, ed., Advances in Antiviral Drug Design, 3 Volumes, Elsevier, Amsterdam (1993 - 1999)

B. Testa and U.A. Meyer, eds., Advances in Drug Research, Academic Press, New York

B.E. Maryanoff, C.A. Maryanoff, A.B. Reitz and S.L. Dax, eds., Advances in Medicinal Chemistry, Elsevier, Amsterdam 

F.M. Richards, D.S. Eisenberg, and P.S. Kim, eds., Advances in Protein Chemistry, Academic Press, New York (1990-)

Annual Reports in Combinatorial Chemistry and Molecular Diversity, Kluwer, Dordrecht (1997- )

P.M. Pardalos and D. W. Hearn, eds., Applied Optimization, Kluwer, Dordrecht (1995-)

Biomembranes, Academic Press, New York

Branbury Reports, Cold Spring Harbor Press (1979-1991)

S.T. Rosen, ed., Cancer Treatment and Research, Kluwer, Dordrecht (1981-)

Cancer Drug Discovery and Development, Humana Press, Totowa, NJ (1996-)

Cold Spring Harbor Monograph Series, Cold Spring Harbor Press (1974-2001)

Cold Spring Harbor Symposia on Quantitative Biology, Cold Spring Harbor Press (1958- )

A. Dress, ed., Computational Biology, Kluwer, Dordrecht (2000-)

S. Istrail, P. A. Pevzner and M.S. Waterman, eds., Computational Molecular Biology, MIT Press, Cambridge, MA (2000-)

Current Protocols, Wiley, New York (1987- )

Developments in Oncology, Kluwer, Dordrecht (1980-)

Drugs and the Pharmaceutical Sciences, Marcel Dekker, New York (1978-)

E.J. Ariëns, ed., Drug Design, Vols. I - X , Academic Press, New York (1971 - 1980)

Ernst Schering Research Foundation Workshops, Springer, Berlin (1991-)

ESO Monographs, Springer, Berlin (1989-1997)

E. Goldberg, ed., Genetic Algorithms and Evolutionary Computation, Kluwer, Dordrecht (2000-)

Genome Analysis, Cold Spring Harbor Press (1990-1993 )

B.O. Palsson, J.R.W. Masters, M.R. Koller, eds., Human Cell Culture, Kluwer, Dordrecht (1998-)

The IMA Volumes in Mathematics and its Applications, Springer, Berlin (1986-)

Jerusalem Symposia, Kluwer, Dordrecht (1975-1995)

Lecture Notes in Chemistry, Springer, Berlin (1980-)

A.K. Konopka, ed., Methods in Computational Biology and Biochemistry, Elsevier, Amsterdam (2000-)

Methods in Enzymology, Academic Press, New York

Methods in Molecular Medicine, Humana Press, Totowa (1996-)

Modeling and Simulation in Science, Engineering, and Technology, Birkhauser, Basel (1996-)

Monographs in Population Biology, Princeton University Press

J. F. Liebman and A. Greenberg, eds., Molecular Structure and Energetics, 11 Volumes, Wiley - VCH, New York (1986 - 1989)

NATO Science Series: Life Sciences, Kluwer, Dordrecht (1986-)

Novartis Foundation Symposia, Wiley, New York

H. Timmerman, ed., Pharmacochemistry Library, Series, Elsevier, Amsterdam

E. Jucker, ed., Progress in Drug Research, Birkhauser, Basel, Boston

F.D. King and A.W. Oxford, eds., Progress in Medicinal Chemistry, Elsevier, Amsterdam

W. N. Lipscomb, I. Prigogine, J. Maruani and S. Wilson, eds., Progress in Theoretical Chemistry and Physics, Kluwer, Dordrecht (1999-)

K.B. Lipkowitz and D.B. Boyd, eds., Reviews in Computational Chemistry, Wiley, New York (1990- )

J.R. Harris, H.J. Hilderson, B.B. Biswas, eds., Subcellular Biochemistry, Kluwer, Dordrecht (1988- )

Theoretical and Computational Chemistry, Elsevier, Amsterdam (1994-)

P.G. Mezey, ed., Understanding Chemical Reactivity, Kluwer, Dordrecht, The Netherlands (1986-)

 

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Indeed, we are still waiting for the rise of computational drug discovery.
Apweiler, R. Biosilico. 2003, I, 5-6.

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