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Journal Abstract Search

191 related items for PubMed ID: 23140256

  • 1. A novel and efficient ligand-based virtual screening approach using the HWZ scoring function and an enhanced shape-density model.
    Hamza A, Wei NN, Hao C, Xiu Z, Zhan CG.
    J Biomol Struct Dyn; 2013; 31(11):1236-50. PubMed ID: 23140256
    [Abstract] [Full Text] [Related]

  • 2. SABRE: ligand/structure-based virtual screening approach using consensus molecular-shape pattern recognition.
    Wei NN, Hamza A.
    J Chem Inf Model; 2014 Jan 27; 54(1):338-46. PubMed ID: 24328054
    [Abstract] [Full Text] [Related]

  • 3. Ligand-based virtual screening approach using a new scoring function.
    Hamza A, Wei NN, Zhan CG.
    J Chem Inf Model; 2012 Apr 23; 52(4):963-74. PubMed ID: 22486340
    [Abstract] [Full Text] [Related]

  • 4. Comparison of structure- and ligand-based virtual screening protocols considering hit list complementarity and enrichment factors.
    Krüger DM, Evers A.
    ChemMedChem; 2010 Jan 23; 5(1):148-58. PubMed ID: 19908272
    [Abstract] [Full Text] [Related]

  • 5. Consensus scoring criteria for improving enrichment in virtual screening.
    Yang JM, Chen YF, Shen TW, Kristal BS, Hsu DF.
    J Chem Inf Model; 2005 Jan 23; 45(4):1134-46. PubMed ID: 16045308
    [Abstract] [Full Text] [Related]

  • 6. Rapid shape-based ligand alignment and virtual screening method based on atom/feature-pair similarities and volume overlap scoring.
    Sastry GM, Dixon SL, Sherman W.
    J Chem Inf Model; 2011 Oct 24; 51(10):2455-66. PubMed ID: 21870862
    [Abstract] [Full Text] [Related]

  • 7. Performance evaluation of 2D fingerprint and 3D shape similarity methods in virtual screening.
    Hu G, Kuang G, Xiao W, Li W, Liu G, Tang Y.
    J Chem Inf Model; 2012 May 25; 52(5):1103-13. PubMed ID: 22551340
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  • 9. Ligand-based virtual screening and in silico design of new antimalarial compounds using nonstochastic and stochastic total and atom-type quadratic maps.
    Marrero-Ponce Y, Iyarreta-Veitía M, Montero-Torres A, Romero-Zaldivar C, Brandt CA, Avila PE, Kirchgatter K, Machado Y.
    J Chem Inf Model; 2005 May 25; 45(4):1082-100. PubMed ID: 16045304
    [Abstract] [Full Text] [Related]

  • 10. Scoring ligand similarity in structure-based virtual screening.
    Zavodszky MI, Rohatgi A, Van Voorst JR, Yan H, Kuhn LA.
    J Mol Recognit; 2009 May 25; 22(4):280-92. PubMed ID: 19235177
    [Abstract] [Full Text] [Related]

  • 11. Comparison of shape-matching and docking as virtual screening tools.
    Hawkins PC, Skillman AG, Nicholls A.
    J Med Chem; 2007 Jan 11; 50(1):74-82. PubMed ID: 17201411
    [Abstract] [Full Text] [Related]

  • 12. SHAFTS: a hybrid approach for 3D molecular similarity calculation. 1. Method and assessment of virtual screening.
    Liu X, Jiang H, Li H.
    J Chem Inf Model; 2011 Sep 26; 51(9):2372-85. PubMed ID: 21819157
    [Abstract] [Full Text] [Related]

  • 13. Integrating ligand-based and protein-centric virtual screening of kinase inhibitors using ensembles of multiple protein kinase genes and conformations.
    Dixit A, Verkhivker GM.
    J Chem Inf Model; 2012 Oct 22; 52(10):2501-15. PubMed ID: 22992037
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  • 16. Using consensus-shape clustering to identify promiscuous ligands and protein targets and to choose the right query for shape-based virtual screening.
    Pérez-Nueno VI, Ritchie DW.
    J Chem Inf Model; 2011 Jun 27; 51(6):1233-48. PubMed ID: 21604699
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  • 17. Comprehensive comparison of ligand-based virtual screening tools against the DUD data set reveals limitations of current 3D methods.
    Venkatraman V, Pérez-Nueno VI, Mavridis L, Ritchie DW.
    J Chem Inf Model; 2010 Dec 27; 50(12):2079-93. PubMed ID: 21090728
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  • 19. Protein flexibility in ligand docking and virtual screening to protein kinases.
    Cavasotto CN, Abagyan RA.
    J Mol Biol; 2004 Mar 12; 337(1):209-25. PubMed ID: 15001363
    [Abstract] [Full Text] [Related]

  • 20. Novel approach to structure-based pharmacophore search using computational geometry and shape matching techniques.
    Ebalunode JO, Ouyang Z, Liang J, Zheng W.
    J Chem Inf Model; 2008 Apr 12; 48(4):889-901. PubMed ID: 18396858
    [Abstract] [Full Text] [Related]

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