Identifying the Hot Spot Residues of the SARS-CoV-2 Main Protease Using MM-PBSA and Multiple Force Fields

Identifying the Hot Spot Residues of the SARS-CoV-2 Main Protease Using MM-PBSA and Multiple Force Fields

In this study, we investigated the binding affinities between the main protease of SARS-CoV-2 virus (<inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mrow><msup><mi mathvariant="normal">M&l...

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Bibliographic Details
Main Authors: Jinyoung Byun, Juyong Lee
Format: Article
Language:English
Published: MDPI AG 2021-12-01
Series:Life
Subjects:
SARS-CoV-2
main protease
molecular dynamics
multiple force fields
MM-PBSA
ligand binding
Online Access:https://www.mdpi.com/2075-1729/12/1/54

Internet

https://www.mdpi.com/2075-1729/12/1/54

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