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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
Ligand solvation in molecular docking.
Shoichet BK, Leach AR, Kuntz ID. Shoichet BK, et al. Proteins. 1999 Jan 1;34(1):4-16. doi: 10.1002/(sici)1097-0134(19990101)34:1<4::aid-prot2>;2-6. Proteins. 1999. PMID: 10336382
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.
Decoys for docking.
Graves AP, Brenk R, Shoichet BK. Graves AP, et al. Among authors: shoichet bk. J Med Chem. 2005 Jun 2;48(11):3714-28. doi: 10.1021/jm0491187. J Med Chem. 2005. PMID: 15916423 Free PMC article.
250 results