Puneet Kumar
Project Scientist, Department of Biosciences and Bioengineering · Indian Institute of Technology Roorkee
Biography
I hold a degree in Biomedical Engineering and have developed into a Computational Biologist through years of interdisciplinary research and hands-on scientific experience. My work lies at the intersection of computational chemistry, structural biology, and drug discovery, where I integrate physics-based simulations with data-driven approaches to understand biomolecular mechanisms and accelerate therapeutic design. My expertise includes molecular dynamics simulations using platforms such as GROMACS and Desmond, advanced free energy methodologies including QM/MM calculations, free energy perturbation (FEP), and metadynamics, as well as both structure- and ligand-based drug design strategies. I also apply machine learning techniques for QSAR modeling, virtual screening, and predictive analysis to identify and optimize novel therapeutic candidates.
Education
Integrated Master of Technology (M.Tech.) in Biomedical Engineering from Indian Institute of Information Technology Allahabad, India Doctor of Philosophy (Ph.D.) in Computational Biology from Indian Institute of Technology Roorkee, India
Recent Scopus Publications
- An in-silico study reveals that a C-terminal fragment of the adhesion protein Fibulin7 (Fbln7-C) regulates the activation of integrin α5β1 through dynamics of VWA and the hybrid domain in the β1 subunit
- Fibulin-7 and its bioactive fragments: emerging immunomodulatory roles in disease
- The neuroprotective role of chlorogenic acid and Fisetin in differentiated neuronal cell line-SHSY5Y against amyloid-β-induced neurotoxicity
- Unraveling the molecular basis for effective regulation of integrin α5β1 for enhanced therapeutic interventions
- Integrins a5b1 and avb3 Differentially Participate in the Recruitment and Reprogramming of Tumor-associated Macrophages in the In Vitro and In Vivo Models of Breast Tumor
Links
- ORCID https://orcid.org/0000-0002-3491-8624
- Google Scholar https://scholar.google.com/citations?user=aHLch4UAAAAJ
- Scopus https://www.scopus.com/authid/detail.uri?authorId=57211826747