Research Interest
We use advanced Molecular dynamics simulation techniques along with Quantum mechanical approaches to solve several problems related to the following fields.
Effects of additives/cosolvent on protein structure and dynamics
Protein folding-unfolding
Structural aspects of Glycans and their interactions with Proteins
Membrane-sugar interactions
Carbohydrate Force Field development
Computer-aided drug design
Host-guest interaction in confined media
Reaction mechanism
Hydration properties of biomolecules
Few recent work
@JCIM, 2020, 60, 6, 3105–3119. DOI: https://doi.org/10.1021/acs.jcim.0c00006
@JCP, 2016, 144, 165101. DOI: https://doi.org/10.1063/1.4947239
@JCP, 2021, 154, 084901 DOI: https://doi.org/10.1063/5.0038305
@CPL,2021, 764, 138280. DOI: https://doi.org/10.1016/j.cplett.2020.138280
Our Collaborators
Prof. Alex Mackerell
Grollman-Glick Professor of Pharmaceutical Sciences
Director, Computer-Aided Drug Design Center
University of Maryland
School of Pharmacy
Baltimore, MD
Prof. Ranjan Das
Professor
Department of Chemistry
West Bengal State University
Berunanpukuria, Barasat
Dr. Atanu Singha Roy
Assistant Professor
Department of Chemistry
NIT Meghalaya, Shillong
Dr. Santanab Giri
Associate Professor
Department of Applied Sciences and Humanities
HIT Haldia, Midnapur