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Pharmacoinformatics and molecular dynamics simulation studies reveal potential covalent and FDA-approved inhibitors of SARS-CoV-2 main protease 3CLpro.

Authors :
Alamri, Mubarak A.
Tahir ul Qamar, Muhammad
Mirza, Muhammad Usman
Bhadane, Rajendra
Alqahtani, Safar M.
Muneer, Iqra
Froeyen, Matheus
Salo-Ahen, Outi M. H.
Source :
Journal of Biomolecular Structure & Dynamics; Aug2021, Vol. 39 Issue 13, p4936-4948, 13p
Publication Year :
2021

Details

Language :
English
ISSN :
07391102
Volume :
39
Issue :
13
Database :
Complementary Index
Journal :
Journal of Biomolecular Structure & Dynamics
Publication Type :
Academic Journal
Accession number :
151667344
Full Text :
https://doi.org/10.1080/07391102.2020.1782768