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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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Bibliografische gegevens
Gepubliceerd in:J Biomol Struct Dyn
Hoofdauteurs: Uniyal, Ankit, Mahapatra, Manoj Kumar, Tiwari, Vinod, Sandhir, Rajat, Kumar, Rajnish
Formaat: Artigo
Taal:Inglês
Gepubliceerd in: Taylor & Francis 2020
Onderwerpen:
Online toegang: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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