A Critical Overview of Computational Approaches Employed for COVID-19 Drug Discovery

Muratov, Evgeny; Amaro, Rommie; H Andrade, Carolina; Brown, Nathan; Sean Ekins,; Fourches, Denis; Isayev, Olexandre; Kozakov, Dima; L. Medina-Franco, José; Merz, Kenneth; Oprea, Tudor; Poroikov, Vladimir; Schneider, Gisbert; Todd, Matthew
H.; Varnek, Alexandre; Winkler, David; A Zakharov,; Cherkasov, A; Tropsha, Alexander

doi:10.26181/14944416.v2

A Critical Overview of Computational Approaches Employed for COVID-19 Drug Discovery

Version 2 2022-10-14, 00:49

Version 1 2021-09-23, 04:41

journal contribution

posted on 2022-10-14, 00:49 authored by Evgeny Muratov, Rommie Amaro, Carolina H Andrade, Nathan Brown, Sean Ekins, Denis Fourches, Olexandre Isayev, Dima Kozakov, José L. Medina-Franco, Kenneth Merz, Tudor Oprea, Vladimir Poroikov, Gisbert Schneider, Matthew H. Todd, Alexandre Varnek, David WinklerDavid Winkler, A Zakharov, A Cherkasov, Alexander Tropsha

We cover diverse methodologies, computational approaches, and case studies illustrating the ongoing efforts to develop viable drug candidates for treatment of COVID-19.

History

Publication Date

2021-08-21

Journal

Chemical Society Reviews

Volume

50

Issue

16

Pagination

31p. (p.9121-9151)

Publisher

Royal Society of Chemistry

ISSN

0306-0012

Rights Statement

© The Royal Society of Chemistry 2021. This is an open access article distributed in accordance with the Creative Commons Attribution Non Commercial (CC BY-NC 4.0) license, which permits others to distribute, remix, adapt, build upon this work non-commercially, and license their derivative works on different terms, provided the original work is properly cited, appropriate credit is given, any changes made indicated, and the use is non-commercial. See: http://creativecommons.org/licenses/by-nc/4.0/.