Identify potent SARS-CoV-2 main protease inhibitors via accelerated free energy perturbation-based virtual screening of existing drugs.
Li Z, Li X, Huang YY, Wu Y, Liu R, Zhou L, Lin Y, Wu D, Zhang L, Liu H, Xu X, Yu K, Zhang Y, Cui J, Zhan CG, Wang X, Luo HB.
Li Z, et al. Among authors: liu h, liu r.
Proc Natl Acad Sci U S A. 2020 Nov 3;117(44):27381-27387. doi: 10.1073/pnas.2010470117. Epub 2020 Oct 13.
Proc Natl Acad Sci U S A. 2020.
PMID: 33051297
Free PMC article.