Investigation of small molecule inhibitors of the SARS-CoV-2 papain-like protease by all-atom microsecond modelling, PELE Monte Carlo simulations, and in vitro activity inhibition

Journal 2022

URL:  https://linkinghub.elsevier.com/retrieve/pii/S0009261421009775

Authors: Liang, Julia / Pitsillou, Eleni / Ververis, Katherine / Guallar, Victor / Hung, Andrew / Karagiannis, Tom

Publication: Chemical Physics Letters

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