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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Vydané v:	Journal of molecular liquids Ročník 354; s. 118901
Hlavní autori:	Ghahremanian, Shabnam, Rashidi, Mohammad Mehdi, Raeisi, Kimai, Toghraie, Davood
Médium:	Journal Article
Jazyk:	English
Vydavateľské údaje:	Netherlands Elsevier B.V 15.05.2022
Predmet:	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
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