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Automated discovery of noncovalent inhibitors of SARS-CoV-2 main protease by consensus Deep Docking of 40 billion small molecules.
Gentile F, Fernandez M, Ban F, Ton AT, Mslati H, Perez CF, Leblanc E, Yaacoub JC, Gleave J, Stern A, Wong B, Jean F, Strynadka N, Cherkasov A. Gentile F, et al. Among authors: yaacoub jc. Chem Sci. 2021 Nov 17;12(48):15960-15974. doi: 10.1039/d1sc05579h. eCollection 2021 Dec 15. Chem Sci. 2021. PMID: 35024120 Free PMC article.