Summary of Research Interests
In my research, I focus on modeling complex biomolecular recognition processes, such as protein-protein and protein-ligand binding. I specialize in using computer simulations to study protein conformational changes and their impact on drug discovery. I have advanced expertise in Molecular Dynamics (MD) simulations, including equilibrium and enhanced sampling techniques. I am also interested in studying the interaction between proteins and cell membranes, particularly water transport across biological membranes. Additionally, I am enthusiastic about applying Machine Learning (ML) algorithms to understand complex biological phenomena. In addition to biomolecular simulations, I am skilled in techniques like molecular docking, QSAR, pharmacophore model development, and virtual screening for specific therapeutic targets. Ultimately, my research goal is to gain comprehensive molecular insights into human diseases and their underlying processes through collaborative work with experimental scientists, utilizing computer simulations.
Credentials
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Reviewer: Journal of Carbohydrate Chemistry
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Reviewer: Nature Scientific Reports
Experience
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Organization: Institute of Pharmaceutical Research, GLA University, Mathura
Designation:Assistant Professor-Research
Experience: August 2022-present
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Organization: Tata Institute of Fundamental Research Hyderabad
Designation:Post-Doctoral Fellow
Experience: May 2017-May 2022 (5 years)
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Organization: Department of Chemistry, Karunya University, Coimbatore
Designation:Assistant Professor
Experience: June 2009-June 2011
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Organization: Department of Pharmacy, Lovely professional University
Designation:Senior Lecturer
Experience: June 2009-June 2011
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Organization: Roorkee College of Pharmacy and Allied Sciences
Designation:Lecturer
Experience: September 2006-July 2007
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Organization: Nicolas Piramal India Ltd
Designation:Medical Representative
Experience: April 2002-Feb 2004