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Table representation of search results timeline featuring number of search results per year.

Year Number of Results
1988 1
1991 1
1993 2
1995 4
1996 1
1997 2
1998 2
1999 4
2000 1
2001 3
2002 2
2003 1
2021 0
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24 results
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Page 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
A genetic algorithm for structure-based de novo design.
Pegg SC, Haresco JJ, Kuntz ID. Pegg SC, et al. J Comput Aided Mol Des. 2001 Oct;15(10):911-33. doi: 10.1023/a:1014389729000. J Comput Aided Mol Des. 2001. PMID: 11918076
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
A selective irreversible inhibitor targeting a PDZ protein interaction domain.
Fujii N, Haresco JJ, Novak KA, Stokoe D, Kuntz ID, Guy RK. Fujii N, et al. J Am Chem Soc. 2003 Oct 8;125(40):12074-5. doi: 10.1021/ja035540l. J Am Chem Soc. 2003. PMID: 14518976
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. Biochemistry. 1999 Feb 2;38(5):1607-17. doi: 10.1021/bi9815896. Biochemistry. 1999. PMID: 9931028
Design, docking, and evaluation of multiple libraries against multiple targets.
Lamb ML, Burdick KW, Toba S, Young MM, Skillman AG, Zou X, Arnold JR, Kuntz ID. Lamb ML, et al. Proteins. 2001 Feb 15;42(3):296-318. doi: 10.1002/1097-0134(20010215)42:3<296::aid-prot20>3.0.co;2-f. Proteins. 2001. PMID: 11151003
Computer-assisted mutagenesis of ecotin to engineer its secondary binding site for urokinase inhibition.
Laboissière MC, Young MM, Pinho RG, Todd S, Fletterick RJ, Kuntz I, Craik CS. Laboissière MC, et al. J Biol Chem. 2002 Jul 19;277(29):26623-31. doi: 10.1074/jbc.M203076200. Epub 2002 Apr 16. J Biol Chem. 2002. PMID: 11959867 Free article.
Structure-based discovery of ligands targeted to the RNA double helix.
Chen Q, Shafer RH, Kuntz ID. Chen Q, et al. Biochemistry. 1997 Sep 23;36(38):11402-7. doi: 10.1021/bi970756j. Biochemistry. 1997. PMID: 9298959
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
Structure-based identification of an inducer of the low-pH conformational change in the influenza virus hemagglutinin: irreversible inhibition of infectivity.
Hoffman LR, Kuntz ID, White JM. Hoffman LR, et al. J Virol. 1997 Nov;71(11):8808-20. doi: 10.1128/JVI.71.11.8808-8820.1997. J Virol. 1997. PMID: 9343241 Free PMC article.
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