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Identification of natural inhibitors against Mpro of SARS-CoV-2 by molecular docking, molecular dynamics simulation, and MM/PBSA methods

The recent outbreak of SARS-CoV-2 disease, also known as COVID-19, has emerged as a pandemic. The unavailability of specific therapeutic drugs and vaccines urgently demands sincere efforts for drug discovery against COVID-19. The main protease (Mpro) of SARS-CoV-2 is a critical drug target as it pla...

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Podrobná bibliografie
Vydáno v:J Biomol Struct Dyn
Hlavní autoři: Sharma, Priyanka, Joshi, Tushar, Mathpal, Shalini, Joshi, Tanuja, Pundir, Hemlata, Chandra, Subhash, Tamta, Sushma
Médium: Artigo
Jazyk:Inglês
Vydáno: Taylor & Francis 2020
Témata:
On-line přístup:https://ncbi.nlm.nih.gov/pmc/articles/PMC7651194/
https://ncbi.nlm.nih.gov/pubmed/33143552
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1080/07391102.2020.1842806
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