The research group was founded by Prof. Estanislao Silla in the Department of Physical Chemistry of the University of Valencia at the beginning of the 90's. The scientific work of the group has been always focused on the theoretical description of chemical processes in condensed phases: solutions and biological environments. The group is currently leaded by Iñaki Tuñón.
The work of the group includes both methodological development and applications. Among the most prominent methodological contributions of our group we find the GEPOL program (a program to calculate molecular surfaces and volumes and that is currently used in many implementations of continuum models) and contributions to the improvement of QM/MM hybrid descriptions of enzymatic processes. Applications range from solubility to chemical reactivity and also computer-aided rational design of new biological catalysts and inhibitors.
- Theoretical study of chemical reactivity in solution and biological media, simulation of enzymatic catalysis, development of qm / mm methods.
Simulation of chemical processes in biological environments
Study by computational tools of chemical reactions in enzymes and aqueous solution by means of QM/MM Molecular Dynamica.
- TUÑON GARCIA DE VICUÑA, IGNACIO NILO
- PDI-Catedratic/a d'Universitat
- Director/a Titulacio Master Oficial
- ContraerExpandirFRANCES MONERRIS, ANTONIOPDI-Ajudant Doctor/A
Kévin Magra; Antonio Francés‐Monerris; Cristina Cebrian; Antonio Monari; Stefan Haacke; Philippe C. Gros(2022)Research Group on Environmental EffectsEuropean Journal of Inorganic Chemistry, 2022(7), p. e202100818. ISSN: 1434-1948
Javier Carmona-García; Tarek Trabelsi; Antonio Francés-Monerris; Carlos A. Cuevas; Alfonso Saiz-Lopez; Daniel Roca-Sanjuán; Joseph S. Francisco(2021)Research Group on Environmental EffectsJournal of the American Chemical Society, 143(44), pp. 18794 - 18802. ISSN: 0002-7863
Antonio Francés-Monerris; Cristina Garcia Iriepa; Isabel Iriepa; Cécilia Hognon; Tom Miclot; Giampaolo Barone; Antonio Monari; Marco Marazzi(2021)Research Group on Environmental EffectsPhysical Chemistry Chemical Physics, 23, pp. 22957 - 22971. ISSN: 1463-9076
Javier Carmona-García; Antonio Francés-Monerris; Carlos A. Cuevas; Tarek Trabelsi; Alfonso Saiz-Lopez; Joseph S. Francisco; Daniel Roca-Sanjuán(2021)Research Group on Environmental EffectsJournal of the American Chemical Society, 143(29), pp. 10836 - 10841. ISSN: 0002-7863
Ana Borrego-Sánchez; Madjid Zemmouche; Javier Carmona-García; Antonio Francés-Monerris; Pep Mulet; Isabelle Navizet; Daniel Roca-Sanjuán(2021)Research Group on Environmental EffectsJournal Of Chemical Theory And Computation, 17(6), pp. 3571 - 3582. ISSN: 1549-9618
Mauricio Lineros-Rosa; M Consuelo Cuquerella; Antonio Francés-Monerris; Antonio Monari; Miguel A. Miranda; Virginie Lhiaubet-Vallet(2021)Research Group on Environmental EffectsOrganic & Biomolecular Chemistry, 19, pp. 1752 - 1759. ISSN: 1477-0520
Miriam Navarrete-Miguel; Antonio Francés-Monerris; Miguel A Miranda; Virginie Lhiaubet-Vallet; Daniel Roca-Sanjuán(2021)Theoretical Study on the Photo-Oxidation and Photoreduction of an Azetidine Derivative as a Model of DNA Repair.Molecules, 26, p. 2911. ISSN: 1420-3049
Abdelazim M. A. Abdelgawwad; Jewel Ann Maria Xavier; Daniel Roca-Sanjuán; Clara Viñas; Francesc Teixidor; Antonio Francés-Monerris(2021)Research Group on Environmental EffectsAngewandte Chemie, 60, pp. 25753 - 25757. ISSN: 1433-7851
Mohamed Darari; Antonio Francés-Monerris; Bogdan Marekha; Abdelatif Doudouh; Emmanuel Wenger; Antonio Monari; Stefan Haacke; Philippe C Gros(2020)Research Group on Environmental EffectsMolecules, 25, p. 5991. ISSN: 1420-3049
Mauricio Lineros-Rosa; Antonio Francés-Monerris; Antonio Monari; Miguel Angel Miranda; Virginie Lhiaubet-Vallet(2020)Research Group on Environmental EffectsPhysical Chemistry Chemical Physics, 22, pp. 25661 - 25668. ISSN: 1463-9076
Antonio Francés-Monerris; Cécilia Hognon; Tom Miclot; Cristina García-Iriepa; Isabel Iriepa; Alessio Terenzi; Stéphanie Grandemange; Giampaolo Barone; Marco Marazzi; Antonio Monari(2020)Research Group on Environmental EffectsJournal of Proteome Research, 19, pp. 4291 - 4315. ISSN: 1535-3893
Cristina García-Iriepa; Cécilia Hognon; Antonio Francés-Monerris; Isabel Iriepa; Tom Miclot; Giampaolo Barone; Antonio Monari; Marco Marazzi(2020)Research Group on Environmental EffectsJournal Of Physical Chemistry Letters, 11, pp. 9272 - 9281. ISSN: 1948-7185
Kevin Magra; Mohamed Darari; Edoardo Domenichini; Antonio Francés-Monerris; Cristina Cebrian; Marc Beley; Mariachiara Pastore; Antonio Monari; Xavier Assfeld; Stefan Haacke; Philippe C Gros(2020)Research Group on Environmental EffectsJournal of physical chemistry. C., 124, pp. 18379 - 18389. ISSN: 1932-7447
Valentin Diez-Cabanes; Giacomo Prampolini; Antonio Francés-Monerris; Antonio Monari; Mariachiara Pastore(2020)Research Group on Environmental EffectsMolecules, 25(13), p. 3084. ISSN: 1420-3049
Antonio Francés-Monerris; Cécilia Hognon; Thierry Douki; Antonio Monari(2020)Research Group on Environmental EffectsChemistry-A European Journal, 26, pp. 14236 - 14241. ISSN: 0947-6539
Cecilia Hognon; Tom Miclot; Cristina Garcia Iriepa; Antonio Francés-Monerris; Stephanie Grandemange; Alessio Terenzi; Marco Marazzi; Giampaolo Barone; Antonio Monari(2020)Research Group on Environmental EffectsJournal Of Physical Chemistry Letters, 11, pp. 5661 - 5667. ISSN: 1948-7185
Antonio Frances-Monerris; Javier Carmona-Garcia; A Ulises Acuna; Juan Z Davalos; Carlos A Cuevas; Douglas E Kinnison; Joseph S Francisco; Alfonso Saiz-Lopez; Daniel Roca-Sanjuan(2020)Research Group on Environmental EffectsAngewandte Chemie, 59, pp. 7605 - 7610. ISSN: 1433-7851
Marco Marazzi; Antonio Francés-Monerris; Andreea Pasc; Maxime Mourer; Antonio Monari(2020)Research Group on Environmental EffectsPhysical Chemistry Chemical Physics, 22, pp. 4749 - 4757. ISSN: 1463-9076
Antonio Francés-Monerris; Mauricio Lineros-Rosa; Miguel Angel Miranda; Virginie Lhiaubet-Vallet; Antonio Monari(2020)Research Group on Environmental EffectsChemical Communications, 56(32), pp. 4404 - 4407. ISSN: 1359-7345
Jonathan Bould; Kamil Lang; Kaplan Kirakci; Luis Cerdán; Daniel Roca-Sanjuán; Antonio Francés-Monerris; William Clegg; Paul G. Waddell; Marcel Fuciman; Tomá¿ Polívka; Michael G. S. Londesborough(2020)A Series of Ultra-Efficient Blue Borane Fluorophores.Inorganic Chemistry, 59, pp. 17058 - 17070. ISSN: 0020-1669
Luis Cerdán; Antonio Francés-Monerris; Daniel Roca-Sanjuán; Jonathan Bould; Jiří Dolanský; Marcel Fuciman; Michael GS Londesborough(2020)Unveiling the role of upper excited electronic states in the photochemistry and laser performance of anti-B18H22.Journal Of Materials Chemistry C, 8, pp. 12806 - 12818. ISSN: 2050-7526
A. Saiz-Lopez; O. Travnikov; J. E. Sonke; C. P. Thackray; D. J. Jacob; J. Carmona-García; A. Francés-Monerris; D. Roca-Sanjuán; A. U. Acuña; J. Z. Dávalos; C. A. Cuevas; M. Jiskra; F. Wang; J. Bieser; J. M. C. Plane; J. S. Francisco(2020)Research Group on Environmental EffectsProceedings of the National Academy of Sciences of the United States of America, 117, pp. 30949 - 30956. ISSN: 0027-8424
Francés-Monerris, Antonio; Tuñón, Iñaki; Monari, Antonio(2019)Research Group on Environmental EffectsJournal Of Physical Chemistry Letters, 10(21), pp. 6750 - 6754. ISSN: 1948-7185
Kevin Magra; Edoardo Domenichini; Antonio Francés-Monerris; Cristina Cebrian; Marc Beley; Mohamed Darari; Mariachiara Pastore; Antonio Monari; Xavier Assfeld; Stefan Haacke; Philippe C. Gros;(2019)Research Group on Environmental EffectsInorganic Chemistry, 58(8), pp. 5069 - 5081. ISSN: 0020-1669
Vicent J Borràs; Antonio Francés-Monerris; Daniel Roca-Sanjuán(2019)Research Group on Environmental EffectsChemphotochem, 3, pp. 889 - 896. ISSN: 2367-0932
Jan Macháček; Antonio Francés-Monerris; Naiwrit Karmodak; Daniel Roca-Sanjuán; Jindrich Fanfrlik; Michael Geoffrey Stephen Londesborough; Drahomír Hnyk; ED Jemmis(2019)Research Group on Environmental EffectsPhysical Chemistry Chemical Physics, 21, pp. 12916 - 12923. ISSN: 1463-9076
Mohamed Darari; Edoardo Domenicchini; Antonio Francés-Monerris; Cristina Cebrián Ávila; Kevin Magra; Marc Beley; Mariachiara Pastore; Antonio Monari; Xavier Assfeld; Stefan Haacke; Philippe C Gros(2019)Research Group on Environmental EffectsDalton Transactions, 48, pp. 10915 - 10926. ISSN: 1477-9226
M Nazari; CD Bösch; Ariana Rondi; Antonio Francés-Monerris; Marco Marazzi; Elise Lognon; Michela Gazzetto; Simon Matthias Langenegger; Robert Haener; Thomas Feurer; Antonio Monari; Andrea Cannizzo(2019)Research Group on Environmental EffectsPhysical Chemistry Chemical Physics, 21(31), pp. 16981 - 16988. ISSN: 1463-9076
Antonio Francés-Monerris; Philippe C Gros; Xavier Assfeld; Antonio Monari; Mariachiara Pastore(2019)Research Group on Environmental EffectsChemphotochem, 3, pp. 666 - 683. ISSN: 2367-0932
Antonio Francés-Monerris; Philippe C Gros; Mariachiara Pastore; Xavier Assfeld; Antonio Monari(2019)Photophysical properties of bichromophoric Fe (II) complexes bearing an aromatic electron acceptor.Theoretical Chemistry Accounts, 138(7), p. 86. ISSN: 1432-881X
Michael GS Londesborough; Jiří Dolanský; Jonathan Bould; Jakub Braborec; Kaplan Kirakci; Kamil Lang; Ivana Císařová; Pavel Kubát; Daniel Roca-Sanjuán; Antonio Francés-Monerris; Lenka Slušná; Eva Noskovičová; Dušan Lorenc(2019)Research Group on Environmental EffectsInorganic Chemistry, 58(15), pp. 10248 - 10259. ISSN: 0020-1669
Antonio Francés-Monerris; Josef Holub; Daniel Roca-Sanjuán; Drahomir Hnyk; Kamil Lang; Josep M Oliva-Enrich(2019)Research Group on Environmental EffectsJournal Of Physical Chemistry Letters, 10, pp. 6202 - 6207. ISSN: 1948-7185
Alekos Segalina; Antonio Francés-Monerris; Mariachiara Pastore; Thierry Leininger; Stefano Evangelisti; Antonio Monari(2018)Research Group on Environmental EffectsTheoretical Chemistry Accounts, 137, p. 163. ISSN: 1432-881X
Antonio Francés-Monerris; Cécilia Hognon; Miguel A. Miranda; Virginie Lhiaubet-Vallet; Antonio Monari(2018)Research Group on Environmental EffectsPhysical Chemistry Chemical Physics, 40, pp. 25666 - 25675. ISSN: 1463-9076
Antonio Francés-Monerris; Hugo Gattuso; Daniel Roca-Sanjuán; Iñaki Tuñón; Marco Marazzi; Elise Dumont; Antonio Monari(2018)Research Group on Environmental EffectsChemical Science, 9, pp. 7902 - 7911. ISSN: 2041-6520
Antonio Francés-Monerris; Kevin Magra; Mohamed Dadari; Cristina Cebrián; Marc Beley; Edoardo Domenichini; Stefan Haacke; Mariachiara Pastore; Xavier Assfeld; Philippe C. Gros; Antonio Monari(2018)Research Group on Environmental EffectsInorganic Chemistry, 57, pp. 10431 - 10441. ISSN: 0020-1669
Ana B. Fraga‐Timiraos; Antonio Francés‐Monerris; Gemma M. Rodríguez‐Muñiz; Miriam Navarrete‐Miguel; Miguel A. Miranda; Daniel Roca‐Sanjuán; Virginie Lhiaubet‐Vallet(2018)Research Group on Environmental EffectsChemistry-A European Journal, 24. ISSN: 0947-6539
Thibaut Duchanois; Li Liu; Mariachiara Pastore; Antonio Monari; Cristina Cebrián; Yann Trolez; Mohamed Darari; Kevin Magra; Antonio Francés-Monerris; Edoardo Domenichini; Marc Beley; Xavier Assfeld; Stefan Haacke; Philippe C. Gros(2018)Research Group on Environmental EffectsInorganics, 6(2), p. 63. ISSN: 2304-6740
M. G. S. Londesborough; J. Dolanský; T. Jelínek; J. D. Kennedy; I. Cisařová; R. D. Kennedy; D. Roca-Sanjuán; A. Francés-Monerris; K. Lang; W. Clegg(2018)Research Group on Environmental EffectsDalton Transactions, 47, p. 1709. ISSN: 1477-9226
Juan Aranda; Antonio Francés-Monerris, Iñaki Tuñón, Daniel Roca-Sanjuán(2017)Research Group on Environmental EffectsJournal Of Chemical Theory And Computation, 13(10), pp. 5089 - 5096. ISSN: 1549-9618
Antonio Francés-Monerris; Ignacio Fdez Galván; Roland Lindh; Daniel Roca-Sanjuán(2017)Research Group on Environmental EffectsTheoretical Chemistry Accounts, 136(6), p. 70. ISSN: 1432-881X
Michael G. S. Londesborough; Jiří Dolanský; Luis Cerdán; Kamil Lang; Tomá¿ Jelínek; Josep M. Oliva; Drahomír Hnyk; Daniel Roca-Sanjuán; Antonio Francés-Monerris; Jiří Martinčík; Martin Nikl; John D. Kennedy(2017)Research Group on Environmental EffectsAdvanced Optical Materials, 5(6), p. 1600694. ISSN: 2195-1071
Felipe A. Augusto; Antonio Francés-Monerris; Ignacio Fdez. Galván; Daniel Roca-Sanjuán; Erick L. Bastos; Wilhelm J. Baader; Roland Lindh(2017)Research Group on Environmental EffectsPhysical Chemistry Chemical Physics, 19(5), pp. 3955 - 3962. ISSN: 1463-9076
Antonio Francés-Monerris; Manuela Merchán; Daniel Roca-Sanjuán(2017)Research Group on Environmental EffectsJournal of Organic Chemistry, 82(1), pp. 276 - 288. ISSN: 0022-3263
Javier Segarra-Martí; Antonio Francés-Monerris; Daniel Roca-Sanjuán, Manuela Merchán(2016)Research Group on Environmental EffectsMolecules, 21, p. 1666. ISSN: 1420-3049
Leandro A. Estrada; Antonio Francés-Monerris; Igor Schapiro; Massimo Olivucci; Daniel Roca-Sanjuán(2016)Research Group on Environmental EffectsPhysical Chemistry Chemical Physics, 18, pp. 32786 - 32795. ISSN: 1463-9076
Antonio Francés-Monerris; Javier Segarra-Martí; Manuela Merchán; Daniel Roca-Sanjuán(2016)Theoretical study on the excited-state π-stacking versus intermolecular hydrogen-transfer processes in the guanine-cytosine/cytosine trimer.Theoretical Chemistry Accounts, 135, p. 31. ISSN: 1432-881X
Isabel Aparici-Espert; Antonio Francés-Monerris; Gemma M. Rodríguez-Muñiz; Daniel Roca-Sanjuán; Virginie Lhiaubet-Vallet; Miguel A. Miranda(2016)Research Group on Environmental EffectsJournal of Organic Chemistry, 81, pp. 4031 - 4038. ISSN: 0022-3263
John A Roque III; Houston D Cole; Patrick C Barrett; Liubov M Lifshits; Rachel O Hodges; Susy Kim; Gagan Deep; Antonio Francés-Monerris; Marta E Alberto; Colin G Cameron; Sherri A McFarland(2022)Research Group on Environmental EffectsJournal of the American Chemical Society, 144, pp. 8317 - 8336. ISSN: 0002-7863
Marta E. Alberto; Antonio Francés-Monerris(2022)Research Group on Environmental EffectsPhysical Chemistry Chemical Physics, 24, pp. 19584 - 19594. ISSN: 1463-9076
Antonio Francés-Monerris; Javier Carmona-García; Tarek Trabelsi; Alfonso Saiz-Lopez; James R Lyons; Joseph S Francisco; Daniel Roca-Sanjuán(2022)Research Group on Environmental EffectsNature Communications, 13, p. 4425. ISSN: 2041-1723
Ulises Carrillo; Antonio Francés-Monerris; Anil Reddy Marri; Cristina Cebrián; Philippe C. Gros(2022)Research Group on Environmental EffectsACS Organic & Inorganic Au, 2, pp. 525 - 536. ISSN: 2694-247X
Abdelazim M. A. Abdelgawwad; Antonio Monari; Iñaki Tuñón; Antonio Francés-Monerris(2022)Research Group on Environmental EffectsJournal of chemical information and modeling, 62, pp. 3239 - 3252. ISSN: 1549-9596
Aurore Fraix; Cristina Parisi; Giuseppe Longobardi; Claudia Conte; Arianna Pastore; Mariano Stornaiuolo; Adriana CE Graziano; Marta E Alberto; Antonio Francés-Monerris; Fabiana Quaglia; Salvatore Sortino(2023)Research Group on Environmental EffectsBiomacromolecules, 24, pp. 3887 - 3897. ISSN: 1525-7797
Houston D Cole; Abbas Vali; John A Roque III; Ge Shi; Gurleen Kaur; Rachel O Hodges; Antonio Francés-Monerris; Marta E Alberto; Colin G Cameron; Sherri A McFarland(2023)Research Group on Environmental EffectsInorganic Chemistry. ISSN: 0020-1669
Abdelazim M. A. Abdelgawwad; Daniel Roca-Sanjuán; Antonio Francés-Monerris(2023)Research Group on Environmental EffectsJournal of Chemical Physics, 159, p. 224106. ISSN: 0021-9606
Halder, Debabrata; Abdelazim M. A. Abdelgawwad; Francés-Monerris, Antonio(2024)Research Group on Environmental EffectsJournal of Medicinal Chemistry. ISSN: 0022-2623
Houston D Cole; Abbas Vali; John A Roque III; Ge Shi; Alisher Talgatov; Gurleen Kaur; Antonio Francés-Monerris; Marta E Alberto; Colin G Cameron; Sherri A McFarland(2024)Research Group on Environmental EffectsInorganic Chemistry, 63(21), pp. 9735 - 9752. ISSN: 0020-1669
Alejandro Diaz-Barreiro; Gea Cereghetti; Francisco Gabriel Ortega Sánchez; Jenna Tonacini; Dominique Talabot-Ayer; Sylvie Kieffer-Jaquinod; Vera Maria Kissling; Arnaud Huard; Christopher Swale; Tuomas PJ Knowles; Yohann Couté; Matthias Peter; Antonio Francés-Monerris; Gaby Palmer(2024)Research Group on Environmental EffectsCell Reports, 43(11), p. 114940. ISSN: 2211-1247
Abdelazim M. A. Abdelgawwad; Antonio Francés-Monerris(2025)Research Group on Environmental EffectsJournal Of Chemical Theory And Computation, 21(4), pp. 1817 - 1830. ISSN: 1549-9618
Diego Abad-Montero; Albert Gandioso; Eduardo Izquierdo-García; Sergi Chumillas; Anna Rovira; Manel Bosch; Mireia Jordà-Redondo; Davor Castaño; Joaquín Bonelli; Valentin V. Novikov; Alba Deyà; José Luis Hernández; Jorge Galino; Marta E. Alberto; Antonio Francés-Monerris; Santi Nonell; Gilles Gasser; Vicente Marchán(2025)Research Group on Environmental EffectsJournal of the American Chemical Society. ISSN: 0002-7863
Alejandro Diaz-Barreiro; Dominique Talabot-Ayer; Arnaud Huard; Gea Cereghetti; Jenna Tonacini; Mike Maillasson; Antonio Francés-Monerris; Erwan Mortier; Gaby Palmer(2025)Research Group on Environmental EffectsCell Communication And Signaling, 23, p. 34. ISSN: 1478-811X
Enrique Ortega-Forte; Anna Rovira; Pezhman Ashoo; Eduardo Izquierdo-García; Cormac Hally; Diego Abad-Montero; Mireira Jordà-Redondo; Gloria Vigueras; Alba Deyà; Jose Luis Hernandez; Jorge Galino; Manel Bosch; Marta Erminia Alberto; Antonio Francés-Monerris; Santi Nonell; Jose Ruiz; Vicente Marchan(2025)Research Group on Environmental EffectsInorganic Chemistry Frontiers. ISSN: 2052-1545
Isabel Guerrero; Abdelazim MA Abdelgawwad; Clara Viñas; Daniel Roca-Sanjuán; Antonio Francés-Monerris; Isabel Romero; Francesc Teixidor(2025)Research Group on Environmental EffectsCell Reports Physical Science, 6(9), p. 102815. ISSN: 2666-3864
Journal Publications
Burjassot/Paterna Campus
C/ Dr. Moliner, 50
46100 Burjassot (Valencia)
- TUÑON GARCIA DE VICUÑA, IGNACIO NILO
- PDI-Catedratic/a d'Universitat
- Director/a Titulacio Master Oficial
