Proposition of a new allosteric binding site for potential SARS-CoV-2 3CL protease inhibitors by utilizing molecular dynamics simulations and ensemble docking-Reference-Cited by-同舟云学术

Proposition of a new allosteric binding site for potential SARS-CoV-2 3CL protease inhibitors by utilizing molecular dynamics simulations and ensemble docking

Published:2021-05-21 Issue: Volume: Page:1-14
ISSN:0739-1102
Container-title:Journal of Biomolecular Structure and Dynamics
language:en
Short-container-title:Journal of Biomolecular Structure and Dynamics

Author:

Novak Jurica¹^ORCID,Rimac Hrvoje²^ORCID,Kandagalla Shivananda¹^ORCID,Pathak Prateek¹^ORCID,Naumovich Vladislav¹,Grishina Maria¹^ORCID,Potemkin Vladimir¹^ORCID

Affiliation:

1. Laboratory of Computational Modeling of Drugs, Higher Medical and Biological School, South Ural State University, Chelyabinsk, Russia

2. Department of Medicinal Chemistry, Faculty of Pharmacy and Biochemistry, University of Zagreb, Zagreb, Croatia

Funder

DST

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Link

https://www.tandfonline.com/doi/pdf/10.1080/07391102.2021.1927845

Reference43 articles.