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Journal Abstract Search

198 related items for PubMed ID: 16787149

  • 1. A pseudo-ligand approach to virtual screening.
    Schüller A, Fechner U, Renner S, Franke L, Weber L, Schneider G.
    Comb Chem High Throughput Screen; 2006 Jun; 9(5):359-64. PubMed ID: 16787149
    [Abstract] [Full Text] [Related]

  • 2. 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]

  • 3. Pharmacophore identification, in silico screening, and virtual library design for inhibitors of the human factor Xa.
    Krovat EM, Frühwirth KH, Langer T.
    J Chem Inf Model; 2005 Sep 09; 45(1):146-59. PubMed ID: 15667140
    [Abstract] [Full Text] [Related]

  • 4. Novel approach for efficient pharmacophore-based virtual screening: method and applications.
    Dror O, Schneidman-Duhovny D, Inbar Y, Nussinov R, Wolfson HJ.
    J Chem Inf Model; 2009 Oct 09; 49(10):2333-43. PubMed ID: 19803502
    [Abstract] [Full Text] [Related]

  • 5. Novel 2D fingerprints for ligand-based virtual screening.
    Ewing T, Baber JC, Feher M.
    J Chem Inf Model; 2006 Oct 09; 46(6):2423-31. PubMed ID: 17125184
    [Abstract] [Full Text] [Related]

  • 6. Novel technologies for virtual screening.
    Lengauer T, Lemmen C, Rarey M, Zimmermann M.
    Drug Discov Today; 2004 Jan 01; 9(1):27-34. PubMed ID: 14761803
    [Abstract] [Full Text] [Related]

  • 7. Extraction and visualization of potential pharmacophore points using support vector machines: application to ligand-based virtual screening for COX-2 inhibitors.
    Franke L, Byvatov E, Werz O, Steinhilber D, Schneider P, Schneider G.
    J Med Chem; 2005 Nov 03; 48(22):6997-7004. PubMed ID: 16250658
    [Abstract] [Full Text] [Related]

  • 8. Pharmacophore alignment search tool: influence of scoring systems on text-based similarity searching.
    Hähnke V, Schneider G.
    J Comput Chem; 2011 Jun 03; 32(8):1635-47. PubMed ID: 21328403
    [Abstract] [Full Text] [Related]

  • 9. Discovery of novel HIV entry inhibitors for the CXCR4 receptor by prospective virtual screening.
    Pérez-Nueno VI, Pettersson S, Ritchie DW, Borrell JI, Teixidó J.
    J Chem Inf Model; 2009 Apr 03; 49(4):810-23. PubMed ID: 19358515
    [Abstract] [Full Text] [Related]

  • 10. Chemometric analysis of ligand receptor complementarity: identifying Complementary Ligands Based on Receptor Information (CoLiBRI).
    Oloff S, Zhang S, Sukumar N, Breneman C, Tropsha A.
    J Chem Inf Model; 2006 Apr 03; 46(2):844-51. PubMed ID: 16563016
    [Abstract] [Full Text] [Related]

  • 11. Applications of random sampling to virtual screening of combinatorial libraries.
    Beroza P, Bradley EK, Eksterowicz JE, Feinstein R, Greene J, Grootenhuis PD, Henne RM, Mount J, Shirley WA, Smellie A, Stanton RV, Spellmeyer DC.
    J Mol Graph Model; 2000 Apr 03; 18(4-5):335-42. PubMed ID: 11143553
    [Abstract] [Full Text] [Related]

  • 12. Matrix-based Molecular Descriptors for Prospective Virtual Compound Screening.
    Grisoni F, Reker D, Schneider P, Friedrich L, Consonni V, Todeschini R, Koeberle A, Werz O, Schneider G.
    Mol Inform; 2017 Jan 03; 36(1-2):. PubMed ID: 27650559
    [Abstract] [Full Text] [Related]

  • 13. Improving VEGFR-2 docking-based screening by pharmacophore postfiltering and similarity search postprocessing.
    Planesas JM, Claramunt RM, Teixidó J, Borrell JI, Pérez-Nueno VI.
    J Chem Inf Model; 2011 Apr 25; 51(4):777-87. PubMed ID: 21417262
    [Abstract] [Full Text] [Related]

  • 14. A virtual active compound produced from the negative image of a ligand-binding pocket, and its application to in-silico drug screening.
    Fukunishi Y, Kubota S, Kanai C, Nakamura H.
    J Comput Aided Mol Des; 2006 Apr 25; 20(4):237-48. PubMed ID: 16897580
    [Abstract] [Full Text] [Related]

  • 15. Extraction of pharmacophore information from high-throughput screens.
    Hopfinger AJ, Duca JS.
    Curr Opin Biotechnol; 2000 Feb 25; 11(1):97-103. PubMed ID: 10679338
    [Abstract] [Full Text] [Related]

  • 16. High-throughput structure-based pharmacophore modelling as a basis for successful parallel virtual screening.
    Steindl TM, Schuster D, Wolber G, Laggner C, Langer T.
    J Comput Aided Mol Des; 2006 Dec 25; 20(12):703-15. PubMed ID: 17009092
    [Abstract] [Full Text] [Related]

  • 17. Virtual Ligand Screening Using PL-PatchSurfer2, a Molecular Surface-Based Protein-Ligand Docking Method.
    Shin WH, Kihara D.
    Methods Mol Biol; 2018 Dec 25; 1762():105-121. PubMed ID: 29594770
    [Abstract] [Full Text] [Related]

  • 18. Combining ethnopharmacology and virtual screening for lead structure discovery: COX-inhibitors as application example.
    Rollinger JM, Haupt S, Stuppner H, Langer T.
    J Chem Inf Comput Sci; 2004 Dec 25; 44(2):480-8. PubMed ID: 15032527
    [Abstract] [Full Text] [Related]

  • 19. HierVLS hierarchical docking protocol for virtual ligand screening of large-molecule databases.
    Floriano WB, Vaidehi N, Zamanakos G, Goddard WA.
    J Med Chem; 2004 Jan 01; 47(1):56-71. PubMed ID: 14695820
    [Abstract] [Full Text] [Related]

  • 20. All in One: Cavity Detection, Druggability Estimate, Cavity-Based Pharmacophore Perception, and Virtual Screening.
    Tran-Nguyen VK, Da Silva F, Bret G, Rognan D.
    J Chem Inf Model; 2019 Jan 28; 59(1):573-585. PubMed ID: 30563339
    [Abstract] [Full Text] [Related]

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