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Journal Abstract Search

607 related items for PubMed ID: 19522467

  • 1. Multitemplate alignment method for the development of a reliable 3D-QSAR model for the analysis of MMP3 inhibitors.
    Tuccinardi T, Ortore G, Santos MA, Marques SM, Nuti E, Rossello A, Martinelli A.
    J Chem Inf Model; 2009 Jul; 49(7):1715-24. PubMed ID: 19522467
    [Abstract] [Full Text] [Related]

  • 2. Receptor-based 3D-QSAR studies of checkpoint Wee1 kinase inhibitors.
    Wichapong K, Lindner M, Pianwanit S, Kokpol S, Sippl W.
    Eur J Med Chem; 2009 Apr; 44(4):1383-95. PubMed ID: 18976834
    [Abstract] [Full Text] [Related]

  • 3. 3D QSAR studies on protein tyrosine phosphatase 1B inhibitors: comparison of the quality and predictivity among 3D QSAR models obtained from different conformer-based alignments.
    Pandey G, Saxena AK.
    J Chem Inf Model; 2006 Apr; 46(6):2579-90. PubMed ID: 17125198
    [Abstract] [Full Text] [Related]

  • 4. Development of a receptor-based 3D-QSAR study for the analysis of MMP2, MMP3, and MMP9 inhibitors.
    Tuccinardi T, Nuti E, Ortore G, Rossello A, Avramova SI, Martinelli A.
    Bioorg Med Chem; 2008 Aug 15; 16(16):7749-58. PubMed ID: 18640045
    [Abstract] [Full Text] [Related]

  • 5. Structure-based approach to pharmacophore identification, in silico screening, and three-dimensional quantitative structure-activity relationship studies for inhibitors of Trypanosoma cruzi dihydrofolate reductase function.
    Schormann N, Senkovich O, Walker K, Wright DL, Anderson AC, Rosowsky A, Ananthan S, Shinkre B, Velu S, Chattopadhyay D.
    Proteins; 2008 Dec 15; 73(4):889-901. PubMed ID: 18536013
    [Abstract] [Full Text] [Related]

  • 6. Binding interaction analysis of the active site and its inhibitors for neuraminidase (N1 subtype) of human influenza virus by the integration of molecular docking, FMO calculation and 3D-QSAR CoMFA modeling.
    Zhang Q, Yang J, Liang K, Feng L, Li S, Wan J, Xu X, Yang G, Liu D, Yang S.
    J Chem Inf Model; 2008 Sep 15; 48(9):1802-12. PubMed ID: 18707092
    [Abstract] [Full Text] [Related]

  • 7. Combined 3D-QSAR modeling and molecular docking study on indolinone derivatives as inhibitors of 3-phosphoinositide-dependent protein kinase-1.
    AbdulHameed MD, Hamza A, Liu J, Zhan CG.
    J Chem Inf Model; 2008 Sep 15; 48(9):1760-72. PubMed ID: 18717540
    [Abstract] [Full Text] [Related]

  • 8. AFMoC enhances predictivity of 3D QSAR: a case study with DOXP-reductoisomerase.
    Silber K, Heidler P, Kurz T, Klebe G.
    J Med Chem; 2005 May 19; 48(10):3547-63. PubMed ID: 15887963
    [Abstract] [Full Text] [Related]

  • 9. Molecular docking and 3D QSAR studies on 1-amino-2-phenyl-4-(piperidin-1-yl)-butanes based on the structural modeling of human CCR5 receptor.
    Xu Y, Liu H, Niu C, Luo C, Luo X, Shen J, Chen K, Jiang H.
    Bioorg Med Chem; 2004 Dec 01; 12(23):6193-208. PubMed ID: 15519163
    [Abstract] [Full Text] [Related]

  • 10. 3D QSAR selectivity analyses of carbonic anhydrase inhibitors: insights for the design of isozyme selective inhibitors.
    Weber A, Böhm M, Supuran CT, Scozzafava A, Sotriffer CA, Klebe G.
    J Chem Inf Model; 2006 Dec 01; 46(6):2737-60. PubMed ID: 17125213
    [Abstract] [Full Text] [Related]

  • 11. 3D-QSAR and docking studies of aldehyde inhibitors of human cathepsin K.
    Pan X, Tan N, Zeng G, Han H, Huang H.
    Bioorg Med Chem; 2006 Apr 15; 14(8):2771-8. PubMed ID: 16377193
    [Abstract] [Full Text] [Related]

  • 12. Combined 3D-QSAR modeling and molecular docking study on quinoline derivatives as inhibitors of P-selectin.
    Zeng H, Cao R, Zhang H.
    Chem Biol Drug Des; 2009 Dec 15; 74(6):596-610. PubMed ID: 19843078
    [Abstract] [Full Text] [Related]

  • 13. Combined 3D-QSAR modeling and molecular docking study on 1,4-dihydroindeno[1,2-c]pyrazoles as VEGFR-2 kinase inhibitors.
    Zeng H, Zhang H.
    J Mol Graph Model; 2010 Aug 24; 29(1):54-71. PubMed ID: 20471293
    [Abstract] [Full Text] [Related]

  • 14. 3D QSAR models built on structure-based alignments of Abl tyrosine kinase inhibitors.
    Falchi F, Manetti F, Carraro F, Naldini A, Maga G, Crespan E, Schenone S, Bruno O, Brullo C, Botta M.
    ChemMedChem; 2009 Jun 24; 4(6):976-87. PubMed ID: 19326384
    [Abstract] [Full Text] [Related]

  • 15. Computational design of novel fullerene analogues as potential HIV-1 PR inhibitors: Analysis of the binding interactions between fullerene inhibitors and HIV-1 PR residues using 3D QSAR, molecular docking and molecular dynamics simulations.
    Durdagi S, Mavromoustakos T, Chronakis N, Papadopoulos MG.
    Bioorg Med Chem; 2008 Dec 01; 16(23):9957-74. PubMed ID: 18996019
    [Abstract] [Full Text] [Related]

  • 16. Molecule kernels: a descriptor- and alignment-free quantitative structure-activity relationship approach.
    Mohr JA, Jain BJ, Obermayer K.
    J Chem Inf Model; 2008 Sep 01; 48(9):1868-81. PubMed ID: 18767832
    [Abstract] [Full Text] [Related]

  • 17. Analysis of human carbonic anhydrase II: docking reliability and receptor-based 3D-QSAR study.
    Tuccinardi T, Nuti E, Ortore G, Supuran CT, Rossello A, Martinelli A.
    J Chem Inf Model; 2007 Sep 01; 47(2):515-25. PubMed ID: 17295464
    [Abstract] [Full Text] [Related]

  • 18. 3D-QSAR and receptor modeling of tyrosine kinase inhibitors with flexible atom receptor model (FLARM).
    Peng T, Pei J, Zhou J.
    J Chem Inf Comput Sci; 2003 Sep 01; 43(1):298-303. PubMed ID: 12546565
    [Abstract] [Full Text] [Related]

  • 19. Modeling ligand-receptor interaction for some MHC class II HLA-DR4 peptide mimetic inhibitors using several molecular docking and 3D QSAR techniques.
    Wei HY, Tsai KC, Lin TH.
    J Chem Inf Model; 2005 Sep 01; 45(5):1343-51. PubMed ID: 16180911
    [Abstract] [Full Text] [Related]

  • 20. Towards a MIP-based alignment and docking in computer-aided drug design.
    Barbany M, Gutiérrez-de-Terán H, Sanz F, Villà-Freixa J.
    Proteins; 2004 Aug 15; 56(3):585-94. PubMed ID: 15229890
    [Abstract] [Full Text] [Related]

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