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Journal Abstract Search

2287 related items for PubMed ID: 21919503

  • 1. LigPlot+: multiple ligand-protein interaction diagrams for drug discovery.
    Laskowski RA, Swindells MB.
    J Chem Inf Model; 2011 Oct 24; 51(10):2778-86. PubMed ID: 21919503
    [Abstract] [Full Text] [Related]

  • 2. Computational methodologies for compound database searching that utilize experimental protein-ligand interaction information.
    Tan L, Batista J, Bajorath J.
    Chem Biol Drug Des; 2010 Sep 01; 76(3):191-200. PubMed ID: 20636330
    [Abstract] [Full Text] [Related]

  • 3. Comprehensive classification and diversity assessment of atomic contacts in protein-small ligand interactions.
    Kasahara K, Shirota M, Kinoshita K.
    J Chem Inf Model; 2013 Jan 28; 53(1):241-8. PubMed ID: 23186137
    [Abstract] [Full Text] [Related]

  • 4. Crystal structure of a glutamate/aspartate binding protein complexed with a glutamate molecule: structural basis of ligand specificity at atomic resolution.
    Hu Y, Fan CP, Fu G, Zhu D, Jin Q, Wang DC.
    J Mol Biol; 2008 Sep 26; 382(1):99-111. PubMed ID: 18640128
    [Abstract] [Full Text] [Related]

  • 5. Anion binding sites in protein structures.
    Chakrabarti P.
    J Mol Biol; 1993 Nov 20; 234(2):463-82. PubMed ID: 8230226
    [Abstract] [Full Text] [Related]

  • 6. The use of protein-ligand interaction fingerprints in docking.
    Brewerton SC.
    Curr Opin Drug Discov Devel; 2008 May 20; 11(3):356-64. PubMed ID: 18428089
    [Abstract] [Full Text] [Related]

  • 7. DrugPred: a structure-based approach to predict protein druggability developed using an extensive nonredundant data set.
    Krasowski A, Muthas D, Sarkar A, Schmitt S, Brenk R.
    J Chem Inf Model; 2011 Nov 28; 51(11):2829-42. PubMed ID: 21995295
    [Abstract] [Full Text] [Related]

  • 8. CORES: an automated method for generating three-dimensional models of protein/ligand complexes.
    Hare BJ, Walters WP, Caron PR, Bemis GW.
    J Med Chem; 2004 Sep 09; 47(19):4731-40. PubMed ID: 15341488
    [Abstract] [Full Text] [Related]

  • 9. Drug-like density: a method of quantifying the "bindability" of a protein target based on a very large set of pockets and drug-like ligands from the Protein Data Bank.
    Sheridan RP, Maiorov VN, Holloway MK, Cornell WD, Gao YD.
    J Chem Inf Model; 2010 Nov 22; 50(11):2029-40. PubMed ID: 20977231
    [Abstract] [Full Text] [Related]

  • 10. 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]

  • 11. Elucidating molecular overlays from pairwise alignments using a genetic algorithm.
    Jones G, Gao Y, Sage CR.
    J Chem Inf Model; 2009 Jul 28; 49(7):1847-55. PubMed ID: 19537722
    [Abstract] [Full Text] [Related]

  • 12. Homology-modelling protein-ligand interactions: allowing for ligand-induced conformational change.
    Dalton JA, Jackson RM.
    J Mol Biol; 2010 Jun 18; 399(4):645-61. PubMed ID: 20434455
    [Abstract] [Full Text] [Related]

  • 13. Discovery of small molecule inhibitors of protein-protein interactions using combined ligand and target score normalization.
    Casey FP, Pihan E, Shields DC.
    J Chem Inf Model; 2009 Dec 18; 49(12):2708-17. PubMed ID: 19994847
    [Abstract] [Full Text] [Related]

  • 14. Model structures of the N-methyl-D-aspartate receptor subunit NR1 explain the molecular recognition of agonist and antagonist ligands.
    Moretti L, Pentikäinen OT, Settimo L, Johnson MS.
    J Struct Biol; 2004 Mar 18; 145(3):205-15. PubMed ID: 14960371
    [Abstract] [Full Text] [Related]

  • 15. LIGPLOT: a program to generate schematic diagrams of protein-ligand interactions.
    Wallace AC, Laskowski RA, Thornton JM.
    Protein Eng; 1995 Feb 18; 8(2):127-34. PubMed ID: 7630882
    [Abstract] [Full Text] [Related]

  • 16. Form follows function: shape analysis of protein cavities for receptor-based drug design.
    Weisel M, Proschak E, Kriegl JM, Schneider G.
    Proteomics; 2009 Jan 18; 9(2):451-9. PubMed ID: 19142949
    [Abstract] [Full Text] [Related]

  • 17. A method for localizing ligand binding pockets in protein structures.
    Glaser F, Morris RJ, Najmanovich RJ, Laskowski RA, Thornton JM.
    Proteins; 2006 Feb 01; 62(2):479-88. PubMed ID: 16304646
    [Abstract] [Full Text] [Related]

  • 18. Conserved core substructures in the overlay of protein-ligand complexes.
    Finzel BC, Akavaram R, Ragipindi A, Van Voorst JR, Cahn M, Davis ME, Pokross ME, Sheriff S, Baldwin ET.
    J Chem Inf Model; 2011 Aug 22; 51(8):1931-41. PubMed ID: 21736376
    [Abstract] [Full Text] [Related]

  • 19. Q-SiteFinder: an energy-based method for the prediction of protein-ligand binding sites.
    Laurie AT, Jackson RM.
    Bioinformatics; 2005 May 01; 21(9):1908-16. PubMed ID: 15701681
    [Abstract] [Full Text] [Related]

  • 20. Properties of polyproline II, a secondary structure element implicated in protein-protein interactions.
    Cubellis MV, Caillez F, Blundell TL, Lovell SC.
    Proteins; 2005 Mar 01; 58(4):880-92. PubMed ID: 15657931
    [Abstract] [Full Text] [Related]

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