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Journal Abstract Search

207 related items for PubMed ID: 20340104

  • 1. Alpha sphere filter method: Application of pseudomolecular descriptors in virtual screening of 2D chemical structures.
    Muta H, Hirayama N.
    J Comput Chem; 2010 Aug; 31(11):2225-32. PubMed ID: 20340104
    [Abstract] [Full Text] [Related]

  • 2. A discussion of measures of enrichment in virtual screening: comparing the information content of descriptors with increasing levels of sophistication.
    Bender A, Glen RC.
    J Chem Inf Model; 2005 Aug; 45(5):1369-75. PubMed ID: 16180913
    [Abstract] [Full Text] [Related]

  • 3. Efficient method for high-throughput virtual screening based on flexible docking: discovery of novel acetylcholinesterase inhibitors.
    Mizutani MY, Itai A.
    J Med Chem; 2004 Sep 23; 47(20):4818-28. PubMed ID: 15369385
    [Abstract] [Full Text] [Related]

  • 4. Virtual screening in lead discovery and optimization.
    Jain AN.
    Curr Opin Drug Discov Devel; 2004 Jul 23; 7(4):396-403. PubMed ID: 15338948
    [Abstract] [Full Text] [Related]

  • 5. Beyond the virtual screening paradigm: structure-based searching for new lead compounds.
    Schlosser J, Rarey M.
    J Chem Inf Model; 2009 Apr 23; 49(4):800-9. PubMed ID: 19354328
    [Abstract] [Full Text] [Related]

  • 6. Importance of molecular computer modeling in anticancer drug development.
    Geromichalos GD.
    J BUON; 2007 Sep 23; 12 Suppl 1():S101-18. PubMed ID: 17935268
    [Abstract] [Full Text] [Related]

  • 7. Mold(2), molecular descriptors from 2D structures for chemoinformatics and toxicoinformatics.
    Hong H, Xie Q, Ge W, Qian F, Fang H, Shi L, Su Z, Perkins R, Tong W.
    J Chem Inf Model; 2008 Jul 23; 48(7):1337-44. PubMed ID: 18564836
    [Abstract] [Full Text] [Related]

  • 8. Considerations in compound database preparation--"hidden" impact on virtual screening results.
    Knox AJ, Meegan MJ, Carta G, Lloyd DG.
    J Chem Inf Model; 2005 Jul 23; 45(6):1908-19. PubMed ID: 16309298
    [Abstract] [Full Text] [Related]

  • 9. Comparison of ligand- and structure-based virtual screening on the DUD data set.
    von Korff M, Freyss J, Sander T.
    J Chem Inf Model; 2009 Feb 23; 49(2):209-31. PubMed ID: 19434824
    [Abstract] [Full Text] [Related]

  • 10. Unconventional 2D shape similarity method affords comparable enrichment as a 3D shape method in virtual screening experiments.
    Ebalunode JO, Zheng W.
    J Chem Inf Model; 2009 Jun 23; 49(6):1313-20. PubMed ID: 19480404
    [Abstract] [Full Text] [Related]

  • 11. 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]

  • 12. Ligand-target interaction-based weighting of substructures for virtual screening.
    Crisman TJ, Sisay MT, Bajorath J.
    J Chem Inf Model; 2008 Oct 25; 48(10):1955-64. PubMed ID: 18821751
    [Abstract] [Full Text] [Related]

  • 13. 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]

  • 14. Virtual screening and scaffold hopping based on GRID molecular interaction fields.
    Ahlström MM, Ridderström M, Luthman K, Zamora I.
    J Chem Inf Model; 2005 Jan 15; 45(5):1313-23. PubMed ID: 16180908
    [Abstract] [Full Text] [Related]

  • 15. Fuzzy pharmacophore models from molecular alignments for correlation-vector-based virtual screening.
    Renner S, Schneider G.
    J Med Chem; 2004 Sep 09; 47(19):4653-64. PubMed ID: 15341481
    [Abstract] [Full Text] [Related]

  • 16. 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]

  • 17. Novel method for generating structure-based pharmacophores using energetic analysis.
    Salam NK, Nuti R, Sherman W.
    J Chem Inf Model; 2009 Oct 12; 49(10):2356-68. PubMed ID: 19761201
    [Abstract] [Full Text] [Related]

  • 18. Virtual screen for ligands of orphan G protein-coupled receptors.
    Bock JR, Gough DA.
    J Chem Inf Model; 2005 Oct 12; 45(5):1402-14. PubMed ID: 16180917
    [Abstract] [Full Text] [Related]

  • 19. Bayesian screening for active compounds in high-dimensional chemical spaces combining property descriptors and molecular fingerprints.
    Vogt M, Bajorath J.
    Chem Biol Drug Des; 2008 Jan 12; 71(1):8-14. PubMed ID: 18069988
    [Abstract] [Full Text] [Related]

  • 20. A novel class of Hsp90 inhibitors isolated by structure-based virtual screening.
    Park H, Kim YJ, Hahn JS.
    Bioorg Med Chem Lett; 2007 Nov 15; 17(22):6345-9. PubMed ID: 17869098
    [Abstract] [Full Text] [Related]

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