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BUILDER v.2: improving the chemistry of a de novo design strategy.
Roe DC, Kuntz ID. Roe DC, et al. Among authors: kuntz id. J Comput Aided Mol Des. 1995 Jun;9(3):269-82. doi: 10.1007/BF00124457. J Comput Aided Mol Des. 1995. PMID: 7561978
Principles and methods of docking and ligand design.
Krumrine J, Raubacher F, Brooijmans N, Kuntz I. Krumrine J, et al. Methods Biochem Anal. 2003;44:443-76. Methods Biochem Anal. 2003. PMID: 12647399 Review. No abstract available.
Darwinian docking.
Kuntz ID. Kuntz ID. J Comput Aided Mol Des. 2012 Jan;26(1):73-5. doi: 10.1007/s10822-011-9503-4. Epub 2011 Dec 6. J Comput Aided Mol Des. 2012. PMID: 22143893
Computer-assisted design of selective imidazole inhibitors for cytochrome p450 enzymes.
Verras A, Kuntz ID, Ortiz de Montellano PR. Verras A, et al. Among authors: kuntz id. J Med Chem. 2004 Jul 1;47(14):3572-9. doi: 10.1021/jm030608t. J Med Chem. 2004. PMID: 15214784
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. Among authors: kuntz id. J Am Chem Soc. 2003 Oct 8;125(40):12074-5. doi: 10.1021/ja035540l. J Am Chem Soc. 2003. PMID: 14518976
Rational design of a nonpeptide general chemical scaffold for reversible inhibition of PDZ domain interactions.
Fujii N, Haresco JJ, Novak KA, Gage RM, Pedemonte N, Stokoe D, Kuntz ID, Guy RK. Fujii N, et al. Among authors: kuntz id. Bioorg Med Chem Lett. 2007 Jan 15;17(2):549-52. doi: 10.1016/j.bmcl.2006.10.006. Epub 2006 Oct 6. Bioorg Med Chem Lett. 2007. PMID: 17055267
DOCK 6: combining techniques to model RNA-small molecule complexes.
Lang PT, Brozell SR, Mukherjee S, Pettersen EF, Meng EC, Thomas V, Rizzo RC, Case DA, James TL, Kuntz ID. Lang PT, et al. Among authors: kuntz id. RNA. 2009 Jun;15(6):1219-30. doi: 10.1261/rna.1563609. Epub 2009 Apr 15. RNA. 2009. PMID: 19369428 Free PMC article.
Development and validation of a modular, extensible docking program: DOCK 5.
Moustakas DT, Lang PT, Pegg S, Pettersen E, Kuntz ID, Brooijmans N, Rizzo RC. Moustakas DT, et al. Among authors: kuntz id. J Comput Aided Mol Des. 2006 Oct-Nov;20(10-11):601-19. doi: 10.1007/s10822-006-9060-4. Epub 2006 Dec 6. J Comput Aided Mol Des. 2006. PMID: 17149653
Proteomimetic libraries: design, synthesis, and evaluation of p53-MDM2 interaction inhibitors.
Lu F, Chi SW, Kim DH, Han KH, Kuntz ID, Guy RK. Lu F, et al. Among authors: kuntz id. J Comb Chem. 2006 May-Jun;8(3):315-25. doi: 10.1021/cc050142v. J Comb Chem. 2006. PMID: 16677000
SitePrint: three-dimensional pharmacophore descriptors derived from protein binding sites for family based active site analysis, classification, and drug design.
Arnold JR, Burdick KW, Pegg SC, Toba S, Lamb ML, Kuntz ID. Arnold JR, et al. Among authors: kuntz id. J Chem Inf Comput Sci. 2004 Nov-Dec;44(6):2190-8. doi: 10.1021/ci049814f. J Chem Inf Comput Sci. 2004. PMID: 15554689
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