Showing results (1-10 of 188) with videos related to
Sort By:
Pageof 19
Journal of Chemical Theory and Computation|October 13, 2025
Benchmarking Alchemical Relative Binding Free Energy Calculations for Nucleotide Binding to Multimeric ATPasesApoorva Purohit, Xiaolin ChengJournal of Chemical Theory and Computation|December 19, 2024
Absolute and Relative Binding Free Energy Calculations of Nucleotides to Multiple Protein ClassesApoorva Purohit, Xiaolin ChengJournal of Molecular Modeling|March 28, 2026
Free energy calculations in molecular modeling: from classical methods to machine learningApoorva PurohitThe Journal of Chemical Physics|October 31, 2021
Kinetics of carbon condensation in detonation of high explosives: First-order phase transition theory perspectiveApoorva Purohit, Kirill A VelizhaninBiorxiv : the Preprint Server for Biology|July 9, 2025
Structural and Functional Mechanisms Underlying Activation Gate Dynamics and IFM Motif Accessibility in Human Na<sub>v</sub>1.5Rupam Biswas, Ana Laura López-Serrano, Apoorva Purohit, et al.Nature Communications|February 16, 2026
Structural and functional mechanisms underlying activation gate dynamics and IFM motif accessibility in human Na<sub>v</sub>1.5Rupam Biswas, Ana Laura López-Serrano, Apoorva Purohit, et al.The Journal of Chemical Physics|January 10, 2020
Implementation of harmonically mapped averaging in LAMMPS, and effect of potential truncation on anharmonic propertiesApoorva Purohit, Andrew J Schultz, David A KofkeProceedings of the National Academy of Sciences of the United States of America|May 14, 2025
Structural basis of human Na<sub>v</sub>1.5 gating mechanismsRupam Biswas, Ana Laura López-Serrano, Apoorva Purohit, et al.Annals of Cardiac Anaesthesia|January 10, 2008
Resistance in gram-negative bacilli in a cardiac intensive care unit in India: risk factors and outcomeMandakini Pawar, Yatin Mehta, Apoorva Purohit, et al.Methods in Molecular Biology (Clifton, N.J.)|September 26, 2012
Molecular dynamicsXiaolin Cheng, Ivaylo IvanovPageof 19