Prashant Kumar Gupta

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 et al. · Journal of Chemical Information and Modeling · 2021 · 71 citations

Ammonia decomposition on silicon surfaces studied using transmission Fourier transform infrared spectroscopy

Anne C. Dillon, Prashant Kumar Gupta, M. B. Robinson et al. · Journal of Vacuum Science & Technology A Vacuum Surfaces and Films · 1991 · 51 citations

Engineering, Chemistry, Ammonia Decomposition +17

Molecular Mechanisms Underlying Solute Retention at Heterogeneous Interfaces

Krystel El Hage, Prashant Kumar Gupta, Raymond J. Bemish et al. · The Journal of Physical Chemistry Letters · 2017 · 33 citations

Engineering, Computational Chemistry, Pure Adsorption +20

Dynamics and vibrational spectroscopy of water at hydroxylated silica surfaces

Prashant Kumar Gupta, Markus Meuwly · Faraday Discussions · 2013 · 31 citations

A Benchmark Study of Quantum Mechanics and Quantum Mechanics-Molecular Mechanics Methods for Carbocation Chemistry

Shani Zev, Prashant Kumar Gupta, Efrat Pahima et al. · Journal of Chemical Theory and Computation · 2021 · 26 citations

Quantum Dynamic, Engineering, Density Functionals +16