Drug design and discovery, Bioinformatics

Broad research activities

Molecular modeling and Drug Design: QSAR analysis, pharmacophore modeling and molecular docking techniques to get understanding of protein ligand interactions.

The virtual screening and data mining of chemical databases using a variety of techniques involving similarity search, pharmacophore search, molecular docking and estimation of binding affinities using PBSA etc. especially for GPCR and protein kinase inhibitors.

Bioinformatics: Use of bioinformatics techniques such as sequence analysis, protein structure modeling, molecular dynamics simulation, MM/GBSA and molecular docking etc. to achieve understanding of the energetic and structural changes in macromolecules.

.