The UV research groups (GIUV) are regulated in the 1st chapter of the Regulation ACGUV48/2013, which explains the procedure for creating new research structures. They are basic research and organizational structures that result from the voluntary association of researchers that share objectives, facilities, resources and common lines of research. These researchers are also committed to the consolidation and stability of their activity, work in groups and the capability to achieve a sustainable funding.
The research groups included in the previously mentioned Regulation are registered in the Register of Research Structures of the Universitat de València (REIUV), managed by the Office of the Vice-principal for Research. The basic information of these organisms can be found in this website.
Participants
Data related to research groups featured in various information dissemination channels shall not, under any circumstances, imply a statement or commitment regarding the employment or academic affiliation of individuals associated with the Universitat de València. Their inclusion is solely the responsibility of the group directors. Updates will be made upon request from interested parties.
- Registered groups in the Register of Research Structures of the Universitat de València - (REIUV)
Reference of the Group:
Description of research activity: 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.
Web:
Scientific-technical goals: - Estudio teorico de reactividad quimica en disolucion y medios biologicos, simulacion de catalisis enzimatica, desarrollo de metodos qm/mm
Research lines: - 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.
Group members:
CNAE:
Associated structure:
Keywords: - QM/MM
- MOLECULAR DYNAMICS
- TRANSITION STATE
- ENZYMATIC REACTIONS
