Shoichet BK - Search Results

1

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

2

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

3

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

4

Predicting the structure of protein complexes: a step in the right direction.

Shoichet BK, Kuntz ID. Shoichet BK, et al. Chem Biol. 1996 Mar;3(3):151-6. doi: 10.1016/s1074-5521(96)90256-2. Chem Biol. 1996. PMID: 8807840 Review.

5

Flexible ligand docking using conformational ensembles.

Lorber DM, Shoichet BK. Lorber DM, et al. Among authors: shoichet bk. Protein Sci. 1998 Apr;7(4):938-50. doi: 10.1002/pro.5560070411. Protein Sci. 1998. PMID: 9568900 Free PMC article.

6

Structure-based design of inhibitors specific for bacterial thymidylate synthase.

Stout TJ, Tondi D, Rinaldi M, Barlocco D, Pecorari P, Santi DV, Kuntz ID, Stroud RM, Shoichet BK, Costi MP. Stout TJ, et al. Among authors: shoichet bk. Biochemistry. 1999 Feb 2;38(5):1607-17. doi: 10.1021/bi9815896. Biochemistry. 1999. PMID: 9931028

7

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>3.0.co;2-6. Proteins. 1999. PMID: 10336382

8

Protein-protein docking with multiple residue conformations and residue substitutions.

Lorber DM, Udo MK, Shoichet BK. Lorber DM, et al. Among authors: shoichet bk. Protein Sci. 2002 Jun;11(6):1393-408. doi: 10.1110/ps.2830102. Protein Sci. 2002. PMID: 12021438 Free PMC article.

9

Evolution of an antibiotic resistance enzyme constrained by stability and activity trade-offs.

Wang X, Minasov G, Shoichet BK. Wang X, et al. Among authors: shoichet bk. J Mol Biol. 2002 Jun 28;320(1):85-95. doi: 10.1016/S0022-2836(02)00400-X. J Mol Biol. 2002. PMID: 12079336

10

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.

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