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:10.26181/614c057d6c8b2

computational approaches employed for COVID-19 drug discovery CSR.pdf (6.8 MB)

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

journal contribution

posted on 2021-09-23, 04:41 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

Issue

16

Pagination

31p. (p.9121-9151)

Publisher

Royal Society of Chemistry

ISSN

0306-0012

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