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Dynamics and electrostatics define an allosteric druggable site within the receptor‐binding domain of SARS‐CoV‐2 spike protein

The pathogenesis of the SARS‐CoV‐2 virus initiates through recognition of the angiotensin‐converting enzyme 2 (ACE2) receptor of the host cells by the receptor‐binding domain (RBD) located at the spikes of the virus. Here, using molecular dynamics simulations, we have demonstrated the allosteric cro...

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Udgivet i:FEBS Lett
Main Authors: Bhattacharjee, Sayan, Bhattacharyya, Rajanya, Sengupta, Jayati
Format: Artigo
Sprog:Inglês
Udgivet: John Wiley and Sons Inc. 2021
Fag:
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC8014131/
https://ncbi.nlm.nih.gov/pubmed/33449359
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/1873-3468.14038
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