Prashant Kumar Gupta
8PUBLICATIONS
10CO-AUTHORS
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Publications (8)
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|Feb 14, 2025
CHARMM-GUI EnzyDocker for Protein-Ligand Docking of Multiple Reactive States along a Reaction Coordinate in Enzymes.Donghyuk Suh, Renana Schwartz, Prashant Kumar Gupta
|Jun 18, 2024
Stability trends in carbocation intermediates stemming from germacrene A and hedycaryol.Naziha Tarannam, Prashant Kumar Gupta, Shani Zev
|Dec 29, 2022
Origin of Catalysis by Nitroalkane Oxidase.Dan Thomas Major, Prashant Kumar Gupta, Jiali Gao
|Dec 14, 2021
A Benchmark Study of Quantum Mechanics and Quantum Mechanics-Molecular Mechanics Methods for Carbocation Chemistry.Shani Zev, Prashant Kumar Gupta, Efrat Pahima
|May 28, 2021
Benchmarking the Ability of Common Docking Programs to Correctly Reproduce and Score Binding Modes in SARS-CoV-2 Protease Mpro.Shani Zev, Keren Raz, Renana Schwartz
|Jun 21, 2019
Response to comment on 'Valid molecular dynamics simulations of human hemoglobin require a surprisingly large box size'.Krystel El Hage, Florent Hédin, Prashant K Gupta
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Frequent Collaborators
5 joint publications
Dan Thomas Major
2 joint publications
Janos Daru
2 joint publications
Shani Zev
1 joint publications
Krystel El Hage
1 joint publications
Florent Hédin
1 joint publications
Markus Meuwly
1 joint publications
Philipp Schienbein
1 joint publications
Naziha Tarannam
1 joint publications
Donghyuk Suh
1 joint publications
Wonpil Im
