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Journal Abstract Search

330 related items for PubMed ID: 19537722

  • 1. Elucidating molecular overlays from pairwise alignments using a genetic algorithm.
    Jones G, Gao Y, Sage CR.
    J Chem Inf Model; 2009 Jul; 49(7):1847-55. PubMed ID: 19537722
    [Abstract] [Full Text] [Related]

  • 2. GAPE: an improved genetic algorithm for pharmacophore elucidation.
    Jones G.
    J Chem Inf Model; 2010 Nov 22; 50(11):2001-18. PubMed ID: 20977234
    [Abstract] [Full Text] [Related]

  • 3. FLEXS: a method for fast flexible ligand superposition.
    Lemmen C, Lengauer T, Klebe G.
    J Med Chem; 1998 Nov 05; 41(23):4502-20. PubMed ID: 9804690
    [Abstract] [Full Text] [Related]

  • 4. Predicting the accuracy of ligand overlay methods with Random Forest models.
    Nandigam RK, Evans DA, Erickson JA, Kim S, Sutherland JJ.
    J Chem Inf Model; 2008 Dec 05; 48(12):2386-94. PubMed ID: 19053524
    [Abstract] [Full Text] [Related]

  • 5. MARS: computing three-dimensional alignments for multiple ligands using pairwise similarities.
    Klabunde T, Giegerich C, Evers A.
    J Chem Inf Model; 2012 Aug 27; 52(8):2022-30. PubMed ID: 22794356
    [Abstract] [Full Text] [Related]

  • 6. Predicting multiple ligand binding modes using self-consistent pharmacophore hypotheses.
    Wallach I, Lilien R.
    J Chem Inf Model; 2009 Sep 27; 49(9):2116-28. PubMed ID: 19711952
    [Abstract] [Full Text] [Related]

  • 7. Combinatorial docking approach for structure prediction of large proteins and multi-molecular assemblies.
    Inbar Y, Benyamini H, Nussinov R, Wolfson HJ.
    Phys Biol; 2005 Nov 09; 2(4):S156-65. PubMed ID: 16280621
    [Abstract] [Full Text] [Related]

  • 8. EADock: docking of small molecules into protein active sites with a multiobjective evolutionary optimization.
    Grosdidier A, Zoete V, Michielin O.
    Proteins; 2007 Jun 01; 67(4):1010-25. PubMed ID: 17380512
    [Abstract] [Full Text] [Related]

  • 9. Evaluation of docking performance: comparative data on docking algorithms.
    Kontoyianni M, McClellan LM, Sokol GS.
    J Med Chem; 2004 Jan 29; 47(3):558-65. PubMed ID: 14736237
    [Abstract] [Full Text] [Related]

  • 10. A critical assessment of docking programs and scoring functions.
    Warren GL, Andrews CW, Capelli AM, Clarke B, LaLonde J, Lambert MH, Lindvall M, Nevins N, Semus SF, Senger S, Tedesco G, Wall ID, Woolven JM, Peishoff CE, Head MS.
    J Med Chem; 2006 Oct 05; 49(20):5912-31. PubMed ID: 17004707
    [Abstract] [Full Text] [Related]

  • 11. Development and validation of a genetic algorithm for flexible docking.
    Jones G, Willett P, Glen RC, Leach AR, Taylor R.
    J Mol Biol; 1997 Apr 04; 267(3):727-48. PubMed ID: 9126849
    [Abstract] [Full Text] [Related]

  • 12. An extensive and diverse set of molecular overlays for the validation of pharmacophore programs.
    Giangreco I, Cosgrove DA, Packer MJ.
    J Chem Inf Model; 2013 Apr 22; 53(4):852-66. PubMed ID: 23565904
    [Abstract] [Full Text] [Related]

  • 13. Conformation mining: an algorithm for finding biologically relevant conformations.
    Putta S, Landrum GA, Penzotti JE.
    J Med Chem; 2005 May 05; 48(9):3313-8. PubMed ID: 15857136
    [Abstract] [Full Text] [Related]

  • 14. CAESAR: a new conformer generation algorithm based on recursive buildup and local rotational symmetry consideration.
    Li J, Ehlers T, Sutter J, Varma-O'brien S, Kirchmair J.
    J Chem Inf Model; 2007 May 05; 47(5):1923-32. PubMed ID: 17691764
    [Abstract] [Full Text] [Related]

  • 15. PharmID: pharmacophore identification using Gibbs sampling.
    Feng J, Sanil A, Young SS.
    J Chem Inf Model; 2006 May 05; 46(3):1352-9. PubMed ID: 16711754
    [Abstract] [Full Text] [Related]

  • 16. Lead finder: an approach to improve accuracy of protein-ligand docking, binding energy estimation, and virtual screening.
    Stroganov OV, Novikov FN, Stroylov VS, Kulkov V, Chilov GG.
    J Chem Inf Model; 2008 Dec 05; 48(12):2371-85. PubMed ID: 19007114
    [Abstract] [Full Text] [Related]

  • 17. Prediction of multiple binding modes of the CDK2 inhibitors, anilinopyrazoles, using the automated docking programs GOLD, FlexX, and LigandFit: an evaluation of performance.
    Sato H, Shewchuk LM, Tang J.
    J Chem Inf Model; 2006 Dec 05; 46(6):2552-62. PubMed ID: 17125195
    [Abstract] [Full Text] [Related]

  • 18. Fully automated flexible docking of ligands into flexible synthetic receptors using forward and inverse docking strategies.
    Kämper A, Apostolakis J, Rarey M, Marian CM, Lengauer T.
    J Chem Inf Model; 2006 Dec 05; 46(2):903-11. PubMed ID: 16563022
    [Abstract] [Full Text] [Related]

  • 19. Analysis and optimization of structure-based virtual screening protocols. (3). New methods and old problems in scoring function design.
    Smith R, Hubbard RE, Gschwend DA, Leach AR, Good AC.
    J Mol Graph Model; 2003 Sep 05; 22(1):41-53. PubMed ID: 12798390
    [Abstract] [Full Text] [Related]

  • 20. GAsDock: a new approach for rapid flexible docking based on an improved multi-population genetic algorithm.
    Li H, Li C, Gui C, Luo X, Chen K, Shen J, Wang X, Jiang H.
    Bioorg Med Chem Lett; 2004 Sep 20; 14(18):4671-6. PubMed ID: 15324886
    [Abstract] [Full Text] [Related]

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