Identification of potential inhibitors of coronavirus hemagglutinin-esterase using molecular docking, molecular dynamics simulation and binding free energy calculation

ABSTRACT: The pandemic outbreak of the Corona viral infection has become a critical global health issue. Biophysical and structural evidence shows that spike protein possesses a high binding affinity towards host angiotensin-converting enzyme 2 and viral hemagglutinin-acetylesterase (HE) glycoprotei...

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Vydáno v:Mol Divers
Hlavní autoři: Patel, Chirag N., Kumar, Sivakumar Prasanth, Pandya, Himanshu A., Rawal, Rakesh M.
Médium: Artigo
Jazyk:Inglês
Vydáno: Springer International Publishing 2020
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Original Article
On-line přístup:https://ncbi.nlm.nih.gov/pmc/articles/PMC7524381/
https://ncbi.nlm.nih.gov/pubmed/32996011
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s11030-020-10135-w
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