Elucidation of Binding Features and Dissociation Pathways of Inhibitors and Modulators in SARS-CoV-2 Main Protease by Multiple Molecular Dynamics Simulations

Elucidation of Binding Features and Dissociation Pathways of Inhibitors and Modulators in SARS-CoV-2 Main Protease by Multiple Molecular Dynamics Simulations

COVID-19 can cause different neurological symptoms in some people, including smell, inability to taste, dizziness, confusion, delirium, seizures, stroke, etc. Owing to the issue of vaccine effectiveness, update and coverage, we still need one or more diversified strategies as the backstop to manage...

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Bibliographic Details
Main Authors: Lei Xu, Liangxu Xie, Dawei Zhang, Xiaojun Xu
Format: Article
Language:English
Published: MDPI AG 2022-10-01
Series:Molecules
Subjects:
binding features
COVID-19
drug design
M<sup>pro</sup>
MCCS
molecular dynamics simulations
Online Access:https://www.mdpi.com/1420-3049/27/20/6823

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