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Journal Abstract Search

464 related items for PubMed ID: 20636330

  • 1. 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]

  • 2. 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]

  • 3. Managing protein flexibility in docking and its applications.
    B-Rao C, Subramanian J, Sharma SD.
    Drug Discov Today; 2009 Apr 15; 14(7-8):394-400. PubMed ID: 19185058
    [Abstract] [Full Text] [Related]

  • 4. Ligand-target interaction-based weighting of substructures for virtual screening.
    Crisman TJ, Sisay MT, Bajorath J.
    J Chem Inf Model; 2008 Oct 15; 48(10):1955-64. PubMed ID: 18821751
    [Abstract] [Full Text] [Related]

  • 5. Analysis and optimization of structure-based virtual screening protocols (1): exploration of ligand conformational sampling techniques.
    Good AC, Cheney DL.
    J Mol Graph Model; 2003 Sep 15; 22(1):23-30. PubMed ID: 12798388
    [Abstract] [Full Text] [Related]

  • 6. Virtual screening of biogenic amine-binding G-protein coupled receptors: comparative evaluation of protein- and ligand-based virtual screening protocols.
    Evers A, Hessler G, Matter H, Klabunde T.
    J Med Chem; 2005 Aug 25; 48(17):5448-65. PubMed ID: 16107144
    [Abstract] [Full Text] [Related]

  • 7. ProPose: steered virtual screening by simultaneous protein-ligand docking and ligand-ligand alignment.
    Seifert MH.
    J Chem Inf Model; 2005 Aug 25; 45(2):449-60. PubMed ID: 15807511
    [Abstract] [Full Text] [Related]

  • 8. The use of protein-ligand interaction fingerprints in docking.
    Brewerton SC.
    Curr Opin Drug Discov Devel; 2008 May 25; 11(3):356-64. PubMed ID: 18428089
    [Abstract] [Full Text] [Related]

  • 9. Ligand prediction from protein sequence and small molecule information using support vector machines and fingerprint descriptors.
    Geppert H, Humrich J, Stumpfe D, Gärtner T, Bajorath J.
    J Chem Inf Model; 2009 Apr 25; 49(4):767-79. PubMed ID: 19309114
    [Abstract] [Full Text] [Related]

  • 10. Rationalization of the performance and target dependence of similarity searching incorporating protein-ligand interaction information.
    Tan L, Batista J, Bajorath J.
    J Chem Inf Model; 2010 Jun 28; 50(6):1042-52. PubMed ID: 20469903
    [Abstract] [Full Text] [Related]

  • 11. Virtual screening and scaffold hopping based on GRID molecular interaction fields.
    Ahlström MM, Ridderström M, Luthman K, Zamora I.
    J Chem Inf Model; 2005 Jun 28; 45(5):1313-23. PubMed ID: 16180908
    [Abstract] [Full Text] [Related]

  • 12. SDOVS: a solvent dipole ordering-based method for virtual screening.
    Murata K, Nagata N, Nakanishi I, Kitaura K.
    J Comput Chem; 2010 Nov 30; 31(15):2714-22. PubMed ID: 20839298
    [Abstract] [Full Text] [Related]

  • 13. Importance of molecular computer modeling in anticancer drug development.
    Geromichalos GD.
    J BUON; 2007 Sep 30; 12 Suppl 1():S101-18. PubMed ID: 17935268
    [Abstract] [Full Text] [Related]

  • 14. 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]

  • 15. Three-dimensional protein-ligand interaction scaling of two-dimensional fingerprints.
    Tan L, Vogt M, Bajorath J.
    Chem Biol Drug Des; 2009 Nov 15; 74(5):449-56. PubMed ID: 19793181
    [Abstract] [Full Text] [Related]

  • 16. Novel method for generating structure-based pharmacophores using energetic analysis.
    Salam NK, Nuti R, Sherman W.
    J Chem Inf Model; 2009 Oct 15; 49(10):2356-68. PubMed ID: 19761201
    [Abstract] [Full Text] [Related]

  • 17. A common reference framework for analyzing/comparing proteins and ligands. Fingerprints for Ligands and Proteins (FLAP): theory and application.
    Baroni M, Cruciani G, Sciabola S, Perruccio F, Mason JS.
    J Chem Inf Model; 2007 Oct 15; 47(2):279-94. PubMed ID: 17381166
    [Abstract] [Full Text] [Related]

  • 18. SHOP: a method for structure-based fragment and scaffold hopping.
    Fontaine F, Cross S, Plasencia G, Pastor M, Zamora I.
    ChemMedChem; 2009 Mar 15; 4(3):427-39. PubMed ID: 19152365
    [Abstract] [Full Text] [Related]

  • 19. Binding response: a descriptor for selecting ligand binding site on protein surfaces.
    Zhong S, MacKerell AD.
    J Chem Inf Model; 2007 Mar 15; 47(6):2303-15. PubMed ID: 17900106
    [Abstract] [Full Text] [Related]

  • 20. VISCANA: visualized cluster analysis of protein-ligand interaction based on the ab initio fragment molecular orbital method for virtual ligand screening.
    Amari S, Aizawa M, Zhang J, Fukuzawa K, Mochizuki Y, Iwasawa Y, Nakata K, Chuman H, Nakano T.
    J Chem Inf Model; 2006 Mar 15; 46(1):221-30. PubMed ID: 16426058
    [Abstract] [Full Text] [Related]

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