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Journal Abstract Search

129 related items for PubMed ID: 15115396

  • 1. General model for estimation of the inhibition of protein kinases using Monte Carlo simulations.
    Tominaga Y, Jorgensen WL.
    J Med Chem; 2004 May 06; 47(10):2534-49. PubMed ID: 15115396
    [Abstract] [Full Text] [Related]

  • 2. Relative contributions of desolvation, inter- and intramolecular interactions to binding affinity in protein kinase systems.
    Sims PA, Wong CF, Vuga D, McCammon JA, Sefton BM.
    J Comput Chem; 2005 May 06; 26(7):668-81. PubMed ID: 15754303
    [Abstract] [Full Text] [Related]

  • 3. Validated quantitative structure-activity relationship analysis of a series of 2-aminothiazole based p56(Lck) inhibitors.
    Li J, Du J, Xi L, Liu H, Yao X, Liu M.
    Anal Chim Acta; 2009 Jan 05; 631(1):29-39. PubMed ID: 19046675
    [Abstract] [Full Text] [Related]

  • 4. Structural basis of Src tyrosine kinase inhibition with a new class of potent and selective trisubstituted purine-based compounds.
    Dalgarno D, Stehle T, Narula S, Schelling P, van Schravendijk MR, Adams S, Andrade L, Keats J, Ram M, Jin L, Grossman T, MacNeil I, Metcalf C, Shakespeare W, Wang Y, Keenan T, Sundaramoorthi R, Bohacek R, Weigele M, Sawyer T.
    Chem Biol Drug Des; 2006 Jan 05; 67(1):46-57. PubMed ID: 16492148
    [Abstract] [Full Text] [Related]

  • 5. Transplant-insert-constrain-relax-assemble (TICRA): protein-ligand complex structure modeling and application to kinases.
    Meshkat S, Klon AE, Zou J, Wiseman JS, Konteatis Z.
    J Chem Inf Model; 2011 Jan 24; 51(1):52-60. PubMed ID: 21117680
    [Abstract] [Full Text] [Related]

  • 6. Interaction profiles of protein kinase-inhibitor complexes and their application to virtual screening.
    Chuaqui C, Deng Z, Singh J.
    J Med Chem; 2005 Jan 13; 48(1):121-33. PubMed ID: 15634006
    [Abstract] [Full Text] [Related]

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  • 8. Charge optimization of the interface between protein kinases and their ligands.
    Sims PA, Wong CF, McCammon JA.
    J Comput Chem; 2004 Aug 13; 25(11):1416-29. PubMed ID: 15185335
    [Abstract] [Full Text] [Related]

  • 9. Discovery of kinase inhibitors by high-throughput docking and scoring based on a transferable linear interaction energy model.
    Kolb P, Huang D, Dey F, Caflisch A.
    J Med Chem; 2008 Mar 13; 51(5):1179-88. PubMed ID: 18271520
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  • 11. 3D QSAR studies on GSK-3 inhibition by aloisines.
    Zeng M, Jiang Y, Zhang B, Zheng K, Zhang N, Yu Q.
    Bioorg Med Chem Lett; 2005 Jan 17; 15(2):395-9. PubMed ID: 15603961
    [Abstract] [Full Text] [Related]

  • 12. Classifying protein kinase structures guides use of ligand-selectivity profiles to predict inactive conformations: structure of lck/imatinib complex.
    Jacobs MD, Caron PR, Hare BJ.
    Proteins; 2008 Mar 17; 70(4):1451-60. PubMed ID: 17910071
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  • 14. Application of the PharmPrint methodology to two protein kinases.
    Deanda F, Stewart EL.
    J Chem Inf Comput Sci; 2004 Mar 17; 44(5):1803-9. PubMed ID: 15446839
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  • 16. Analyses of activity for factor Xa inhibitors based on Monte Carlo simulations.
    Ostrovsky D, Udier-Blagović M, Jorgensen WL.
    J Med Chem; 2003 Dec 18; 46(26):5691-9. PubMed ID: 14667222
    [Abstract] [Full Text] [Related]

  • 17. 3D-QSAR and molecular docking study on bisarylmaleimide series as glycogen synthase kinase 3, cyclin dependent kinase 2 and cyclin dependent kinase 4 inhibitors: an insight into the criteria for selectivity.
    Dessalew N, Bharatam PV.
    Eur J Med Chem; 2007 Jul 18; 42(7):1014-27. PubMed ID: 17335939
    [Abstract] [Full Text] [Related]

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  • 19. Identification of non-phosphate-containing small molecular weight inhibitors of the tyrosine kinase p56 Lck SH2 domain via in silico screening against the pY + 3 binding site.
    Huang N, Nagarsekar A, Xia G, Hayashi J, MacKerell AD.
    J Med Chem; 2004 Jul 01; 47(14):3502-11. PubMed ID: 15214778
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