Molecular modeling for drug design

e-DrugMod is a webserver for molecular modeling to assist identification of new bioactive compounds for drug discovery or chemical biology purposes. DrugMod tools are hosted on the RPBS (Ressource Parisienne en Bioinformatique Structurale) platform and MTi lab. The developed tools allow performing a workflow for structure-based virtual screening:


Free ADME-Tox Filtering Tool  

FRee Online druG conformation generation  

Automated protein-ligand docking with AutoDock  

Automated virtual ligand screening with Vina  

Automatic Molecular Mechanics Optimization for in silico Screening