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The Journal of Physical Chemistry. B|August 31, 2019
Water Plays a Cocatalytic Role in Epoxide Ring Opening Reaction in Aspartate Proteases: A QM/MM StudyMohd Ahsan, Sanjib SenapatiBiochemistry|September 13, 2008
Molecular dynamics simulations of ligand-induced flap closing in HIV-1 protease approach X-ray resolution: establishing the role of bound water in the flap closing mechanismGurpreet Singh, Sanjib SenapatiChemmedchem|October 5, 2025
Decoding Structural Fingerprints to Design and Elucidate the Mechanism of Action of Prospective Cholesteryl Ester Transfer Protein DrugsSudipta Nandi, Sanjib SenapatiBiochemistry|May 16, 2017
How Mutations Can Resist Drug Binding yet Keep HIV-1 Protease FunctionalRajeswari Appadurai, Sanjib SenapatiThe Journal of Physical Chemistry. B|April 29, 2024
Toward Greater DNA Stability by Leveraging the Proton-Donating Ability of Protic Ionic LiquidsRajani Knanghat, Sanjib SenapatiBiochemistry|February 20, 2016
Dynamical Network of HIV-1 Protease Mutants Reveals the Mechanism of Drug Resistance and Unhindered ActivityRajeswari Appadurai, Sanjib SenapatiThe Journal of Physical Chemistry. B|November 26, 2020
Dynamics and Barrier of Movements of Sodium and Potassium Ions Across the Oxytricha nova G-Quadruplex CoreSangeetha Balasubramanian, Sanjib SenapatiPlos One|August 11, 2012
Understanding the basis of drug resistance of the mutants of αβ-tubulin dimer via molecular dynamics simulationsKathiresan Natarajan, Sanjib SenapatiThe Journal of Physical Chemistry. B|April 29, 2021
Effects of Ionic Liquids on Aqueous Urea Solutions: Insights into the Ionic Liquid-Assisted Protein RenaturationMohammad Homaidur Rahman, Sanjib SenapatiPhysical Chemistry Chemical Physics : PCCP|April 8, 2026
Beyond the crystal: molecular dynamics investigations of CETP with varied lipid substrates reveal asymmetric dominant motionsBharath Raj Parthasarathy, Sanjib SenapatiPageof 8