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From docking false-positive to active anti-HIV agent.
Barreiro G, Kim JT, Guimarães CR, Bailey CM, Domaoal RA, Wang L, Anderson KS, Jorgensen WL. Barreiro G, et al. Among authors: guimaraes cr. J Med Chem. 2007 Nov 1;50(22):5324-9. doi: 10.1021/jm070683u. Epub 2007 Oct 6. J Med Chem. 2007. PMID: 17918923 Free PMC article.
Discovery of a potent, selective, and efficacious class of reversible alpha-ketoheterocycle inhibitors of fatty acid amide hydrolase effective as analgesics.
Boger DL, Miyauchi H, Du W, Hardouin C, Fecik RA, Cheng H, Hwang I, Hedrick MP, Leung D, Acevedo O, Guimarães CR, Jorgensen WL, Cravatt BF. Boger DL, et al. Among authors: guimaraes cr. J Med Chem. 2005 Mar 24;48(6):1849-56. doi: 10.1021/jm049614v. J Med Chem. 2005. PMID: 15771430 Free PMC article.
MM-GB/SA rescoring of docking poses.
Guimarães CR. Guimarães CR. Methods Mol Biol. 2012;819:255-68. doi: 10.1007/978-1-61779-465-0_17. Methods Mol Biol. 2012. PMID: 22183542
57 results