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Chemical informatics and target identification in a zebrafish phenotypic screen.
Laggner C, Kokel D, Setola V, Tolia A, Lin H, Irwin JJ, Keiser MJ, Cheung CY, Minor DL Jr, Roth BL, Peterson RT, Shoichet BK. Laggner C, et al. Among authors: shoichet bk. Nat Chem Biol. 2011 Dec 18;8(2):144-6. doi: 10.1038/nchembio.732. Nat Chem Biol. 2011. PMID: 22179068 Free PMC article.
Lead discovery using molecular docking.
Shoichet BK, McGovern SL, Wei B, Irwin JJ. Shoichet BK, et al. Curr Opin Chem Biol. 2002 Aug;6(4):439-46. doi: 10.1016/s1367-5931(02)00339-3. Curr Opin Chem Biol. 2002. PMID: 12133718 Review.
Virtual screening of chemical libraries.
Shoichet BK. Shoichet BK. Nature. 2004 Dec 16;432(7019):862-5. doi: 10.1038/nature03197. Nature. 2004. PMID: 15602552 Free PMC article. Review.
High-throughput assays for promiscuous inhibitors.
Feng BY, Shelat A, Doman TN, Guy RK, Shoichet BK. Feng BY, et al. Among authors: shoichet bk. Nat Chem Biol. 2005 Aug;1(3):146-8. doi: 10.1038/nchembio718. Epub 2005 Jul 3. Nat Chem Biol. 2005. PMID: 16408018
Benchmarking sets for molecular docking.
Huang N, Shoichet BK, Irwin JJ. Huang N, et al. Among authors: shoichet bk. J Med Chem. 2006 Nov 16;49(23):6789-801. doi: 10.1021/jm0608356. J Med Chem. 2006. PMID: 17154509 Free PMC article.
Relating protein pharmacology by ligand chemistry.
Keiser MJ, Roth BL, Armbruster BN, Ernsberger P, Irwin JJ, Shoichet BK. Keiser MJ, et al. Among authors: shoichet bk. Nat Biotechnol. 2007 Feb;25(2):197-206. doi: 10.1038/nbt1284. Nat Biotechnol. 2007. PMID: 17287757
274 results