In silico investigation of Komaroviquinone as a potential inhibitor of SARS-CoV-2 main protease (Mpro): Molecular docking, molecular dynamics, and QM/MM approaches

Author:

Santos Samuel J.M.ORCID,Valentini AntoninhoORCID

Publisher

Elsevier BV

Subject

Materials Chemistry,Computer Graphics and Computer-Aided Design,Physical and Theoretical Chemistry,Spectroscopy

Reference55 articles.

1. SARS beginning to understand a new virus;Stadler;Nat. Rev. Microbiol.,2003

2. SARS and MERS: recent insights into emerging coronaviruses;De Wit;Nat. Rev. Microbiol.,2016

3. MERS transmission and risk factors: a systematic review;Park;BMC Publ. Health,2018

4. https://www.who.int/, accessed on May 11, 2023.

5. A structural view of the SARS-CoV-2 virus and its assembly;Hardenbrook;Curr. Opin. Virol.,2022

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