The Dynamical Asymmetry in SARS-CoV2 Protease Reveals the Exchange Between Catalytic Activity and Stability in Homodimers

The Dynamical Asymmetry in SARS-CoV2 Protease Reveals the Exchange Between Catalytic Activity and Stability in Homodimers

The molecular approach to understanding the mechanisms of emerging diseases, like COVID-19, has largely accelerated the search for successful therapeutical strategies. In this work, we present an extensive molecular dynamics (MD) analysis of two forms of the SARS-CoV-2 main protease M<sup>Pro&...

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Bibliographic Details
Main Authors: Velia Minicozzi, Alessandro Giuliani, Giampiero Mei, Leonardo Domenichelli, Mauro Parise, Almerinda Di Venere, Luisa Di Paola
Format: Article
Language:English
Published: MDPI AG 2025-03-01
Series:Molecules
Subjects:
molecular dynamics (MD) simulation
main protease (M<sup>Pro</sup>)
SARS-CoV-2
structural analysis
drug discovery
therapeutic interventions
Online Access:https://www.mdpi.com/1420-3049/30/7/1412
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https://www.mdpi.com/1420-3049/30/7/1412

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