Shoichet BK - Search Results

1

Molecular docking and ligand specificity in fragment-based inhibitor discovery.

Chen Y, Shoichet BK. Chen Y, et al. Among authors: shoichet bk. Nat Chem Biol. 2009 May;5(5):358-64. doi: 10.1038/nchembio.155. Epub 2009 Mar 22. Nat Chem Biol. 2009. PMID: 19305397 Free PMC article.

2

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

3

Matching chemistry and shape in molecular docking.

Shoichet BK, Kuntz ID. Shoichet BK, et al. Protein Eng. 1993 Sep;6(7):723-32. doi: 10.1093/protein/6.7.723. Protein Eng. 1993. PMID: 7504257

4

Structure-based discovery of inhibitors of thymidylate synthase.

Shoichet BK, Stroud RM, Santi DV, Kuntz ID, Perry KM. Shoichet BK, et al. Science. 1993 Mar 5;259(5100):1445-50. doi: 10.1126/science.8451640. Science. 1993. PMID: 8451640

5

Structure-based design and in-parallel synthesis of inhibitors of AmpC beta-lactamase.

Tondi D, Powers RA, Caselli E, Negri MC, Blázquez J, Costi MP, Shoichet BK. Tondi D, et al. Among authors: shoichet bk. Chem Biol. 2001 Jun;8(6):593-611. doi: 10.1016/s1074-5521(01)00034-5. Chem Biol. 2001. PMID: 11410378

6

Structure-based discovery of a novel, noncovalent inhibitor of AmpC beta-lactamase.

Powers RA, Morandi F, Shoichet BK. Powers RA, et al. Among authors: shoichet bk. Structure. 2002 Jul;10(7):1013-23. doi: 10.1016/s0969-2126(02)00799-2. Structure. 2002. PMID: 12121656 Free article.

7

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.

8

A model binding site for testing scoring functions in molecular docking.

Wei BQ, Baase WA, Weaver LH, Matthews BW, Shoichet BK. Wei BQ, et al. Among authors: shoichet bk. J Mol Biol. 2002 Sep 13;322(2):339-55. doi: 10.1016/s0022-2836(02)00777-5. J Mol Biol. 2002. PMID: 12217695

9

Nanomolar inhibitors of AmpC beta-lactamase.

Morandi F, Caselli E, Morandi S, Focia PJ, Blázquez J, Shoichet BK, Prati F. Morandi F, et al. Among authors: shoichet bk. J Am Chem Soc. 2003 Jan 22;125(3):685-95. doi: 10.1021/ja0288338. J Am Chem Soc. 2003. PMID: 12526668

10

Recognition and resistance in TEM beta-lactamase.

Wang X, Minasov G, Blázquez J, Caselli E, Prati F, Shoichet BK. Wang X, et al. Among authors: shoichet bk. Biochemistry. 2003 Jul 22;42(28):8434-44. doi: 10.1021/bi034242y. Biochemistry. 2003. PMID: 12859188

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