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Journal Abstract Search

106 related items for PubMed ID: 18620417

  • 1. In silico drug profiling of the human kinome based on a molecular marker for cross reactivity.
    Zhang X, Fernández A.
    Mol Pharm; 2008; 5(5):728-38. PubMed ID: 18620417
    [Abstract] [Full Text] [Related]

  • 2. Computational proteomics of biomolecular interactions in the sequence and structure space of the tyrosine kinome: deciphering the molecular basis of the kinase inhibitors selectivity.
    Verkhivker GM.
    Proteins; 2007 Mar 01; 66(4):912-29. PubMed ID: 17173284
    [Abstract] [Full Text] [Related]

  • 3. In silico profiling of tyrosine kinases binding specificity and drug resistance using Monte Carlo simulations with the ensembles of protein kinase crystal structures.
    Verkhivker GM.
    Biopolymers; 2007 Mar 01; 85(4):333-48. PubMed ID: 17167796
    [Abstract] [Full Text] [Related]

  • 4. Predicting kinase selectivity profiles using Free-Wilson QSAR analysis.
    Sciabola S, Stanton RV, Wittkopp S, Wildman S, Moshinsky D, Potluri S, Xi H.
    J Chem Inf Model; 2008 Sep 01; 48(9):1851-67. PubMed ID: 18717582
    [Abstract] [Full Text] [Related]

  • 5. Exploring sequence-structure relationships in the tyrosine kinome space: functional classification of the binding specificity mechanisms for cancer therapeutics.
    Verkhivker GM.
    Bioinformatics; 2007 Aug 01; 23(15):1919-26. PubMed ID: 17537753
    [Abstract] [Full Text] [Related]

  • 6. Kinase-kernel models: accurate in silico screening of 4 million compounds across the entire human kinome.
    Martin E, Mukherjee P.
    J Chem Inf Model; 2012 Jan 23; 52(1):156-70. PubMed ID: 22133092
    [Abstract] [Full Text] [Related]

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  • 8. In silico chemical library screening and experimental validation of a novel 9-aminoacridine based lead-inhibitor of human S-adenosylmethionine decarboxylase.
    Brooks WH, McCloskey DE, Daniel KG, Ealick SE, Secrist JA, Waud WR, Pegg AE, Guida WC.
    J Chem Inf Model; 2007 Jan 23; 47(5):1897-905. PubMed ID: 17676832
    [Abstract] [Full Text] [Related]

  • 9. Redesigning kinase inhibitors to enhance specificity.
    Crespo A, Zhang X, Fernández A.
    J Med Chem; 2008 Aug 28; 51(16):4890-8. PubMed ID: 18680272
    [Abstract] [Full Text] [Related]

  • 10. A novel in silico approach to drug discovery via computational intelligence.
    Hecht D, Fogel GB.
    J Chem Inf Model; 2009 Apr 28; 49(4):1105-21. PubMed ID: 19348414
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  • 12. In silico fragment screening by replica generation (FSRG) method for fragment-based drug design.
    Fukunishi Y, Mashimo T, Orita M, Ohno K, Nakamura H.
    J Chem Inf Model; 2009 Apr 28; 49(4):925-33. PubMed ID: 19354203
    [Abstract] [Full Text] [Related]

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  • 14. High-throughput assays for promiscuous inhibitors.
    Feng BY, Shelat A, Doman TN, Guy RK, Shoichet BK.
    Nat Chem Biol; 2005 Aug 28; 1(3):146-8. PubMed ID: 16408018
    [Abstract] [Full Text] [Related]

  • 15. Inverse in silico screening for identification of kinase inhibitor targets.
    Zahler S, Tietze S, Totzke F, Kubbutat M, Meijer L, Vollmar AM, Apostolakis J.
    Chem Biol; 2007 Nov 28; 14(11):1207-14. PubMed ID: 18022559
    [Abstract] [Full Text] [Related]

  • 16. Analysis of a high-throughput screening data set using potency-scaled molecular similarity algorithms.
    Vogt I, Bajorath J.
    J Chem Inf Model; 2007 Nov 28; 47(2):367-75. PubMed ID: 17300172
    [Abstract] [Full Text] [Related]

  • 17. IKKbeta inhibitors identification part I: homology model assisted structure based virtual screening.
    Nagarajan S, Doddareddy Mr, Choo H, Cho YS, Oh KS, Lee BH, Pae AN.
    Bioorg Med Chem; 2009 Apr 01; 17(7):2759-66. PubMed ID: 19285872
    [Abstract] [Full Text] [Related]

  • 18. Assessment of chemical coverage of kinome space and its implications for kinase drug discovery.
    Bamborough P, Drewry D, Harper G, Smith GK, Schneider K.
    J Med Chem; 2008 Dec 25; 51(24):7898-914. PubMed ID: 19035792
    [Abstract] [Full Text] [Related]

  • 19. Novel trends in high-throughput screening.
    Mayr LM, Bojanic D.
    Curr Opin Pharmacol; 2009 Oct 25; 9(5):580-8. PubMed ID: 19775937
    [Abstract] [Full Text] [Related]

  • 20. Development and experimental validation of a docking strategy for the generation of kinase-targeted libraries.
    Gozalbes R, Simon L, Froloff N, Sartori E, Monteils C, Baudelle R.
    J Med Chem; 2008 Jun 12; 51(11):3124-32. PubMed ID: 18479119
    [Abstract] [Full Text] [Related]

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