Elucidating biophysical basis of binding of inhibitors to SARS-CoV-2 main protease by using molecular dynamics simulations and free energy calculations

The recent outbreak of novel “coronavirus disease 2019” (COVID-19) has spread rapidly worldwide, causing a global pandemic. In the present work, we have elucidated the mechanism of binding of two inhibitors, namely α-ketoamide and Z31792168, to SARS-CoV-2 main protease (M(pro) or 3CL(pro)) by using...

Celý popis

Uloženo v:
Podrobná bibliografie
Vydáno v:J Biomol Struct Dyn
Hlavní autoři: Sk, Md Fulbabu, Roy, Rajarshi, Jonniya, Nisha Amarnath, Poddar, Sayan, Kar, Parimal
Médium: Artigo
Jazyk:Inglês
Vydáno: Taylor & Francis 2020
Témata:
Research Article
On-line přístup:https://ncbi.nlm.nih.gov/pmc/articles/PMC7284146/
https://ncbi.nlm.nih.gov/pubmed/32396767
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1080/07391102.2020.1768149
Tagy: Přidat tag
Žádné tagy, Buďte první, kdo otaguje tento záznam!

Podobné jednotky