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Journal Abstract Search

110 related items for PubMed ID: 23186137

  • 1. 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]

  • 2. 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]

  • 3. Encoding protein-ligand interaction patterns in fingerprints and graphs.
    Desaphy J, Raimbaud E, Ducrot P, Rognan D.
    J Chem Inf Model; 2013 Mar 25; 53(3):623-37. PubMed ID: 23432543
    [Abstract] [Full Text] [Related]

  • 4. A fragment library based on Gaussian mixtures predicting favorable molecular interactions.
    Rantanen VV, Denessiouk KA, Gyllenberg M, Koski T, Johnson MS.
    J Mol Biol; 2001 Oct 12; 313(1):197-214. PubMed ID: 11601856
    [Abstract] [Full Text] [Related]

  • 5. Binding affinity prediction for protein-ligand complexes based on β contacts and B factor.
    Liu Q, Kwoh CK, Li J.
    J Chem Inf Model; 2013 Nov 25; 53(11):3076-85. PubMed ID: 24191692
    [Abstract] [Full Text] [Related]

  • 6. Detection of 3D atomic similarities and their use in the discrimination of small molecule protein-binding sites.
    Najmanovich R, Kurbatova N, Thornton J.
    Bioinformatics; 2008 Aug 15; 24(16):i105-11. PubMed ID: 18689810
    [Abstract] [Full Text] [Related]

  • 7. N-H...O, O-H...O, and C-H...O hydrogen bonds in protein-ligand complexes: strong and weak interactions in molecular recognition.
    Sarkhel S, Desiraju GR.
    Proteins; 2004 Feb 01; 54(2):247-59. PubMed ID: 14696187
    [Abstract] [Full Text] [Related]

  • 8. GIANT: pattern analysis of molecular interactions in 3D structures of protein-small ligand complexes.
    Kasahara K, Kinoshita K.
    BMC Bioinformatics; 2014 Jan 14; 15():12. PubMed ID: 24423161
    [Abstract] [Full Text] [Related]

  • 9. Geometric and chemical patterns of interaction in protein--ligand complexes and their application in docking.
    Moreno E, León K.
    Proteins; 2002 Apr 01; 47(1):1-13. PubMed ID: 11870860
    [Abstract] [Full Text] [Related]

  • 10. 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 01; 49(12):2708-17. PubMed ID: 19994847
    [Abstract] [Full Text] [Related]

  • 11. Essential considerations for using protein-ligand structures in drug discovery.
    Warren GL, Do TD, Kelley BP, Nicholls A, Warren SD.
    Drug Discov Today; 2012 Dec 01; 17(23-24):1270-81. PubMed ID: 22728777
    [Abstract] [Full Text] [Related]

  • 12. 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]

  • 13. The automatic search for ligand binding sites in proteins of known three-dimensional structure using only geometric criteria.
    Peters KP, Fauck J, Frömmel C.
    J Mol Biol; 1996 Feb 16; 256(1):201-13. PubMed ID: 8609611
    [Abstract] [Full Text] [Related]

  • 14. Polypharmacology rescored: protein-ligand interaction profiles for remote binding site similarity assessment.
    Salentin S, Haupt VJ, Daminelli S, Schroeder M.
    Prog Biophys Mol Biol; 2014 Feb 16; 116(2-3):174-86. PubMed ID: 24923864
    [Abstract] [Full Text] [Related]

  • 15. Investigation of atomic level patterns in protein--small ligand interactions.
    Chen K, Kurgan L.
    PLoS One; 2009 Feb 16; 4(2):e4473. PubMed ID: 19221587
    [Abstract] [Full Text] [Related]

  • 16. Structural interaction fingerprint (SIFt): a novel method for analyzing three-dimensional protein-ligand binding interactions.
    Deng Z, Chuaqui C, Singh J.
    J Med Chem; 2004 Jan 15; 47(2):337-44. PubMed ID: 14711306
    [Abstract] [Full Text] [Related]

  • 17. Comprehensive structural classification of ligand-binding motifs in proteins.
    Kinjo AR, Nakamura H.
    Structure; 2009 Feb 13; 17(2):234-46. PubMed ID: 19217394
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  • 18. Nonbonding interactions of organic halogens in biological systems: implications for drug discovery and biomolecular design.
    Lu Y, Wang Y, Zhu W.
    Phys Chem Chem Phys; 2010 May 14; 12(18):4543-51. PubMed ID: 20428531
    [Abstract] [Full Text] [Related]

  • 19. 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
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  • 20. Numerical errors in minimization based binding energy calculations.
    Feher M, Williams CI.
    J Chem Inf Model; 2012 Dec 21; 52(12):3200-12. PubMed ID: 23146112
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