Molecular Dynamics Simulations Reveal the Interaction Fingerprint of Remdesivir Triphosphate Pivotal in Allosteric Regulation of SARS-CoV-2 RdRp

Molecular Dynamics Simulations Reveal the Interaction Fingerprint of Remdesivir Triphosphate Pivotal in Allosteric Regulation of SARS-CoV-2 RdRp

The COVID-19 pandemic has now strengthened its hold on human health and coronavirus’ lethal existence does not seem to be going away soon. In this regard, the optimization of reported information for understanding the mechanistic insights that facilitate the discovery towards new therapeutics is an...

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Bibliographic Details
Main Authors: Mitul Srivastava, Lovika Mittal, Anita Kumari, Shailendra Asthana
Format: Article
Language:English
Published: Frontiers Media S.A. 2021-08-01
Series:Frontiers in Molecular Biosciences
Subjects:
SARS-CoV-2 RNA-dependent RNA polymerase (RdRp)
RDV triphosphate (RTP)
molecular dynamics simulation
PCA
FEL
NTP entrance site
Online Access:https://www.frontiersin.org/articles/10.3389/fmolb.2021.639614/full

Internet

https://www.frontiersin.org/articles/10.3389/fmolb.2021.639614/full

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