Head of Molecular Modeling Dept

• Head of Computational Chemistry Dept• Focus area of research mainly metabolic disorders (Diabetes Mellitus), inflammation (asthma, COPD, rheumatoid arthritis), and infectious diseases like dengue.• Target selection: Biological data evaluation, compound chemical space (IP) evaluation through patent search, SWOT analysis and competitive intelligence to evaluating feasibility and likelihood of success• Part of Discovery working groups/Core groups and Joint Scientific Working Groups working with foreign collaborators• Writing new research grant proposals for funding• X-ray crystallographics studies of proteins, protein-ligand complexes• Homology modeling of proteins of interest (GPCRs, enzymes, transporters) • High throughput virtual screening (HTVS) of compound libraries • Hit identification/lead optimization by Scaffold replacement, molecular docking and molecular dynamics (MD) simulations• Mentoring Ph.D. students and other group members in terms of scientific and technical skills• Recruitment of technical/scientific staff• Project Management

• Focused area of research: Cancer Therapeutics (protein-based)• X-ray crystallography /Molecular modeling• Mechanisms of action of new enzymes and intellectual inputs for protein engineering and for elucidating their biological properties

Structural study of unusual DNA/RNA fragments mainly through X-ray crystallographyMolecular modeling and molecular dynamics simulations of DNA/RNA fragments

• Offered undergraduate courses at S.I.W.S. College, University of Bombay (Mumbai), India.