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Targeting SARS-CoV-2 main protease: structure based virtual screening, in silico ADMET studies and molecular dynamics simulation for identification of potential inhibitors

COVID-19 pandemic has created a healthcare crisis across the world and has put human life under life-threatening circumstances. The recent discovery of the crystallized structure of the main protease (M(pro)) from SARS-CoV-2 has provided an opportunity for utilizing computational tools as an effecti...

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Bibliografiske detaljer
Udgivet i:J Biomol Struct Dyn
Main Authors: Uniyal, Ankit, Mahapatra, Manoj Kumar, Tiwari, Vinod, Sandhir, Rajat, Kumar, Rajnish
Format: Artigo
Sprog:Inglês
Udgivet: Taylor & Francis 2020
Fag:
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC7754935/
https://ncbi.nlm.nih.gov/pubmed/33226303
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1080/07391102.2020.1848636
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