Molecular Modeling Group
Institution: Centro de Biología Molecular Severo Ochoa (CBM)
Members (researchers): Paulino Gomez-Puertas
Home page: http://bioweb.cbm.uam.es/
Contact email: pagomez@cbm.csic.es
Tools: MEPSA: Minimum Energy Pathway Analysis for energy landscapes., MEPSAnd: minimum energy path surface analysis over n-dimensional surfaces.
There are no service units associated with this research group.
Research topics:
Biomolecular simulation, Protein/Nucleic Acid design, Structure prediction, Structure-function relationship
Publications
Research lines
- Analysis by computational simulation of enzymatic reactions catalyzed by enzymes of biomedical interest. Design of specific inhibitors.
- Development of efficient methods for calculating paths of minimum or maximum parameter values (e.g., minimum energy paths) through surfaces of any number of dimensions.
Funding
- New drugs to inhibit Carbapenemases. Discovery of compounds by structural design (DrugCarbapenem). PID2021-126625OB-I00 / MCIN /AEI / 10.13039/501100011033 / FEDER,EU. 2022. National. 2022 - 2026.

