Molecular dynamics simulation approach for discovering potential inhibitors against SARS-CoV-2: A structural review

•Analyzing possible inhibitors against key targeted proteases of SARS-COV-2.•MD simulation is a beneficial approach for assessing the binding affinity of ligand-receptor.•Different parameters have been considered in the various targets of the research interests.•Best candidates against Covid19 were...

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Veröffentlicht in:	Journal of molecular liquids Jg. 354; S. 118901
Hauptverfasser:	Ghahremanian, Shabnam, Rashidi, Mohammad Mehdi, Raeisi, Kimai, Toghraie, Davood
Format:	Journal Article
Sprache:	Englisch
Veröffentlicht:	Netherlands Elsevier B.V 15.05.2022
Schlagworte:	Coronavirus main protease COVID-19 Drug discovery MD simulations SARS‐CoV‐2 COVID-19 MD simulations Drug discovery SARS‐CoV‐2 Coronavirus main protease
ISSN:	0167-7322, 1873-3166
Online-Zugang:	Volltext
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