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Journal Abstract Search

190 related items for PubMed ID: 16563016

  • 21. Real-time ligand binding pocket database search using local surface descriptors.
    Chikhi R, Sael L, Kihara D.
    Proteins; 2010 Jul; 78(9):2007-28. PubMed ID: 20455259
    [Abstract] [Full Text] [Related]

  • 22. A knowledge-based weighting approach to ligand-based virtual screening.
    Stiefl N, Zaliani A.
    J Chem Inf Model; 2006 Jul; 46(2):587-96. PubMed ID: 16562987
    [Abstract] [Full Text] [Related]

  • 23. Efficient virtual screening using multiple protein conformations described as negative images of the ligand-binding site.
    Virtanen SI, Pentikäinen OT.
    J Chem Inf Model; 2010 Jun 28; 50(6):1005-11. PubMed ID: 20504004
    [Abstract] [Full Text] [Related]

  • 24. sc-PDB: an annotated database of druggable binding sites from the Protein Data Bank.
    Kellenberger E, Muller P, Schalon C, Bret G, Foata N, Rognan D.
    J Chem Inf Model; 2006 Jun 28; 46(2):717-27. PubMed ID: 16563002
    [Abstract] [Full Text] [Related]

  • 25. New methods for ligand-based virtual screening: use of data fusion and machine learning to enhance the effectiveness of similarity searching.
    Hert J, Willett P, Wilton DJ, Acklin P, Azzaoui K, Jacoby E, Schuffenhauer A.
    J Chem Inf Model; 2006 Jun 28; 46(2):462-70. PubMed ID: 16562973
    [Abstract] [Full Text] [Related]

  • 26. Definition and display of steric, hydrophobic, and hydrogen-bonding properties of ligand binding sites in proteins using Lee and Richards accessible surface: validation of a high-resolution graphical tool for drug design.
    Bohacek RS, McMartin C.
    J Med Chem; 1992 May 15; 35(10):1671-84. PubMed ID: 1588550
    [Abstract] [Full Text] [Related]

  • 27. Ligand binding site similarity identification based on chemical and geometric similarity.
    Tu H, Shi T.
    Protein J; 2013 Jun 15; 32(5):373-85. PubMed ID: 23700221
    [Abstract] [Full Text] [Related]

  • 28. QXP: powerful, rapid computer algorithms for structure-based drug design.
    McMartin C, Bohacek RS.
    J Comput Aided Mol Des; 1997 Jul 15; 11(4):333-44. PubMed ID: 9334900
    [Abstract] [Full Text] [Related]

  • 29. Identification of binding sites and favorable ligand binding moieties by virtual screening and self-organizing map analysis.
    Harigua-Souiai E, Cortes-Ciriano I, Desdouits N, Malliavin TE, Guizani I, Nilges M, Blondel A, Bouvier G.
    BMC Bioinformatics; 2015 Mar 21; 16():93. PubMed ID: 25888251
    [Abstract] [Full Text] [Related]

  • 30. A new protein binding pocket similarity measure based on comparison of clouds of atoms in 3D: application to ligand prediction.
    Hoffmann B, Zaslavskiy M, Vert JP, Stoven V.
    BMC Bioinformatics; 2010 Feb 22; 11():99. PubMed ID: 20175916
    [Abstract] [Full Text] [Related]

  • 31. Development and validation of a novel protein-ligand fingerprint to mine chemogenomic space: application to G protein-coupled receptors and their ligands.
    Weill N, Rognan D.
    J Chem Inf Model; 2009 Apr 22; 49(4):1049-62. PubMed ID: 19301874
    [Abstract] [Full Text] [Related]

  • 32. Virtual Ligand Screening Using PL-PatchSurfer2, a Molecular Surface-Based Protein-Ligand Docking Method.
    Shin WH, Kihara D.
    Methods Mol Biol; 2018 Apr 22; 1762():105-121. PubMed ID: 29594770
    [Abstract] [Full Text] [Related]

  • 33. Large-scale chemical similarity networks for target profiling of compounds identified in cell-based chemical screens.
    Lo YC, Senese S, Li CM, Hu Q, Huang Y, Damoiseaux R, Torres JZ.
    PLoS Comput Biol; 2015 Mar 22; 11(3):e1004153. PubMed ID: 25826798
    [Abstract] [Full Text] [Related]

  • 34. Identification and mapping of small-molecule binding sites in proteins: computational tools for structure-based drug design.
    Sotriffer C, Klebe G.
    Farmaco; 2002 Mar 22; 57(3):243-51. PubMed ID: 11989803
    [Abstract] [Full Text] [Related]

  • 35. NMR and in silico screening.
    Rüdisser S, Jahnke W.
    Comb Chem High Throughput Screen; 2002 Dec 22; 5(8):591-603. PubMed ID: 12470256
    [Abstract] [Full Text] [Related]

  • 36. A chemogenomics view on protein-ligand spaces.
    Strömbergsson H, Kleywegt GJ.
    BMC Bioinformatics; 2009 Jun 16; 10 Suppl 6(Suppl 6):S13. PubMed ID: 19534738
    [Abstract] [Full Text] [Related]

  • 37. In search of novel ligands using a structure-based approach: a case study on the adenosine A2A receptor.
    Lenselink EB, Beuming T, van Veen C, Massink A, Sherman W, van Vlijmen HW, IJzerman AP.
    J Comput Aided Mol Des; 2016 Oct 16; 30(10):863-874. PubMed ID: 27629350
    [Abstract] [Full Text] [Related]

  • 38. A novel search engine for virtual screening of very large databases.
    Vidal D, Thormann M, Pons M.
    J Chem Inf Model; 2006 Oct 16; 46(2):836-43. PubMed ID: 16563015
    [Abstract] [Full Text] [Related]

  • 39. Generalized modeling of enzyme-ligand interactions using proteochemometrics and local protein substructures.
    Strömbergsson H, Kryshtafovych A, Prusis P, Fidelis K, Wikberg JE, Komorowski J, Hvidsten TR.
    Proteins; 2006 Nov 15; 65(3):568-79. PubMed ID: 16948162
    [Abstract] [Full Text] [Related]

  • 40. PLIC: protein-ligand interaction clusters.
    Anand P, Nagarajan D, Mukherjee S, Chandra N.
    Database (Oxford); 2014 Nov 15; 2014(0):bau029. PubMed ID: 24763918
    [Abstract] [Full Text] [Related]

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