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Protein docking and complementarity.
Shoichet BK, Kuntz ID. Shoichet BK, et al. J Mol Biol. 1991 Sep 5;221(1):327-46. doi: 10.1016/0022-2836(91)80222-g. J Mol Biol. 1991. PMID: 1920412
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.
A molecular docking strategy identifies Eosin B as a non-active site inhibitor of protozoal bifunctional thymidylate synthase-dihydrofolate reductase.
Atreya CE, Johnson EF, Irwin JJ, Dow A, Massimine KM, Coppens I, Stempliuk V, Beverley S, Joiner KA, Shoichet BK, Anderson KS. Atreya CE, et al. Among authors: shoichet bk. J Biol Chem. 2003 Apr 18;278(16):14092-100. doi: 10.1074/jbc.M212690200. Epub 2003 Jan 29. J Biol Chem. 2003. PMID: 12556445 Free article.
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.
274 results