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Pubmed for Handhelds

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Journal Abstract Search

177 related items for PubMed ID: 15929088

  • 61. Grand canonical Monte Carlo simulation of ligand-protein binding.
    Clark M, Guarnieri F, Shkurko I, Wiseman J.
    J Chem Inf Model; 2006; 46(1):231-42. PubMed ID: 16426059
    [Abstract] [Full Text] [Related]

  • 62. Modeling water molecules in protein-ligand docking using GOLD.
    Verdonk ML, Chessari G, Cole JC, Hartshorn MJ, Murray CW, Nissink JW, Taylor RD, Taylor R.
    J Med Chem; 2005 Oct 06; 48(20):6504-15. PubMed ID: 16190776
    [Abstract] [Full Text] [Related]

  • 63. A general approach for developing system-specific functions to score protein-ligand docked complexes using support vector inductive logic programming.
    Amini A, Shrimpton PJ, Muggleton SH, Sternberg MJ.
    Proteins; 2007 Dec 01; 69(4):823-31. PubMed ID: 17910057
    [Abstract] [Full Text] [Related]

  • 64. Prediction of protein-ligand complex structure by docking software guided by other complex structures.
    Fukunishi Y, Nakamura H.
    J Mol Graph Model; 2008 Feb 01; 26(6):1030-3. PubMed ID: 17692546
    [Abstract] [Full Text] [Related]

  • 65. A semiempirical free energy force field with charge-based desolvation.
    Huey R, Morris GM, Olson AJ, Goodsell DS.
    J Comput Chem; 2007 Apr 30; 28(6):1145-52. PubMed ID: 17274016
    [Abstract] [Full Text] [Related]

  • 66. Comparative assessment of scoring functions on a diverse test set.
    Cheng T, Li X, Li Y, Liu Z, Wang R.
    J Chem Inf Model; 2009 Apr 30; 49(4):1079-93. PubMed ID: 19358517
    [Abstract] [Full Text] [Related]

  • 67. Ligand-protein docking with water molecules.
    Roberts BC, Mancera RL.
    J Chem Inf Model; 2008 Feb 30; 48(2):397-408. PubMed ID: 18211049
    [Abstract] [Full Text] [Related]

  • 68. Accounting for loop flexibility during protein-protein docking.
    Bastard K, Prévost C, Zacharias M.
    Proteins; 2006 Mar 01; 62(4):956-69. PubMed ID: 16372349
    [Abstract] [Full Text] [Related]

  • 69.
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  • 71. ROSETTALIGAND: protein-small molecule docking with full side-chain flexibility.
    Meiler J, Baker D.
    Proteins; 2006 Nov 15; 65(3):538-48. PubMed ID: 16972285
    [Abstract] [Full Text] [Related]

  • 72. Modeling of metal interaction geometries for protein-ligand docking.
    Seebeck B, Reulecke I, Kämper A, Rarey M.
    Proteins; 2008 May 15; 71(3):1237-54. PubMed ID: 18041759
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  • 74. Protein-ligand NOE matching: a high-throughput method for binding pose evaluation that does not require protein NMR resonance assignments.
    Constantine KL, Davis ME, Metzler WJ, Mueller L, Claus BL.
    J Am Chem Soc; 2006 Jun 07; 128(22):7252-63. PubMed ID: 16734479
    [Abstract] [Full Text] [Related]

  • 75. Domain-based small molecule binding site annotation.
    Snyder KA, Feldman HJ, Dumontier M, Salama JJ, Hogue CW.
    BMC Bioinformatics; 2006 Mar 17; 7():152. PubMed ID: 16545112
    [Abstract] [Full Text] [Related]

  • 76. ASEDock-docking based on alpha spheres and excluded volumes.
    Goto J, Kataoka R, Muta H, Hirayama N.
    J Chem Inf Model; 2008 Mar 17; 48(3):583-90. PubMed ID: 18278891
    [Abstract] [Full Text] [Related]

  • 77. Computation of the contribution from the cavity effect to protein-ligand binding free energy.
    Grigoriev FV, Gabin SN, Romanov AN, Sulimov VB.
    J Phys Chem B; 2008 Dec 04; 112(48):15355-60. PubMed ID: 18991438
    [Abstract] [Full Text] [Related]

  • 78. A method for induced-fit docking, scoring, and ranking of flexible ligands. Application to peptidic and pseudopeptidic beta-secretase (BACE 1) inhibitors.
    Moitessier N, Therrien E, Hanessian S.
    J Med Chem; 2006 Oct 05; 49(20):5885-94. PubMed ID: 17004704
    [Abstract] [Full Text] [Related]

  • 79. Selection and flexible optimization of binding modes from conformation ensembles.
    Guerler A, Moll S, Weber M, Meyer H, Cordes F.
    Biosystems; 2008 Apr 05; 92(1):42-8. PubMed ID: 18241979
    [Abstract] [Full Text] [Related]

  • 80. Alternative to consensus scoring--a new approach toward the qualitative combination of docking algorithms.
    Wolf A, Zimmermann M, Hofmann-Apitius M.
    J Chem Inf Model; 2007 Apr 05; 47(3):1036-44. PubMed ID: 17492829
    [Abstract] [Full Text] [Related]

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