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Journal of Biomolecular Structure & Dynamics|January 5, 2021
Molecular mechanism of inhibition of COVID-19 main protease by β-adrenoceptor agonists and adenosine deaminase inhibitors using <i>in silico</i> methodsPushyaraga P Venugopal, Debashree Chakraborty
Physical Chemistry Chemical Physics : PCCP|May 1, 2026
Dissecting urea-RNA interactions in SARS-CoV-2 virus: nucleobases as the primary denaturation hotspotsOmkar Singh, Pushyaraga P Venugopal
Journal of Molecular Liquids|July 25, 2022
Understanding the role of water on temperature-dependent structural modifications of SARS CoV-2 main protease binding sitesPushyaraga P Venugopal, Omkar Singh, Debashree Chakraborty
Physical Chemistry Chemical Physics : PCCP|February 20, 2026
Triazole-stapled p53 mimetics as MDM2 inhibitors: structural and thermodynamic origin of enhanced binding affinityVikram Gaikwad, Pushyaraga P Venugopal, Rajarshi Chakrabarti
The Journal of Physical Chemistry. B|September 15, 2021
Temperature-Dependent Conformational Evolution of SARS CoV-2 RNA Genome Using Network AnalysisOmkar Singh, Pushyaraga P Venugopal, Apoorva Mathur, et al.
Journal of Molecular Graphics & Modelling|July 12, 2022
Exploring the multiple conformational states of RNA genome through interhelical dynamics and network analysisOmkar Singh, Pushyaraga P Venugopal, Apoorva Mathur, et al.
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