PROTEIN DYNAMICS - We focus on understanding the relationship between protein structure, function, and dynamics. Research is focused into two major sub-groups: 1) molecular modeling of enzyme-substrate / enzyme-inhibitor interactions and 2) structure-based drug discovery. Studies are performed using
V.Chirasani, P.D. Revanasiddappa, S. Senapati (2016). "Structural plasticity of cholesteryl ester transfer protein assists its lipid transfer activity", J. Biol. Chem, 291, pp. 19462-19473.
D. Ghoshdastidar, S. Senapati (2018). "Dehydrated DNA in B-form: Ionic liquids in rescue ", Nucleic Acids Res, 46, pp. 4344-4353.
M. Ahsan, C. Pindi and S. Senapati (2020). "Electrostatics Plays a Crucial Role in HIV-1 Protease Substrate Binding, Drugs Fail to Take the Advantage", Biochemistry, 59, pp. 3316-3331.
S. Bardhan, M. H. Rahman, S. Banerjee, A. P. Singh and S. Senapati (2020). "Extended H-Bonding through Protic Ionic Liquids Facilitates the Growth and Stability of Water Domains in Hydrophobic Environment", Langmuir, 36, pp. 15362-15373.
C. Pindi, V.R. Chirasani, S. Senapati (2021). "Identifying crucial E-protein residues responsible for unusual stability of Zika virus envelope", Biophys. J, 120, pp. 1-14.