Protein structure Modeling
Protein Structure Prediction:  Employing homology modeling and ab-initio methods
Structure Validation: PROCHECK, WHATIF
Structure Refinement:  Molecular dynamics simulations using Schrödinger, Amber.

Computer aided drug design
Target Characterization: Active Site Mapping
Small Molecule Database: Developed in house database for lead-like molecules.
Filters for drug-like molecules:  Lipinsky’s Rule of Five
Docking: Autodock 4.0, GLIDE, PARDOCK
Binding Free Energy Estimates: MMGBSA

Research Collaborations with University of Delhi

• Department of Biochemistry, University of Delhi South Campus (UDSC)
• Department of Genetics, University of Delhi South Campus (UDSC)

• Supercomputing Facility for Bioinformatics & Computational Biology, IIT Delhi
• Centre for Bioinformatics & Computational Biology, JNU

Project entitled “In silico analysis of the impact of SNPs/SNP haplotypes on protein structure and function” funded by DBT in collaboration with Prof. B. K. Thelma, Department of Genetics, University of Delhi South Campus and Prof. B. Jayaram , Head, Department of Chemistry, IIT Delhi.