These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.


BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

280 related articles for article (PubMed ID: 17009092)

  • 1. 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; 20(12):703-15. PubMed ID: 17009092
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Parallel screening: a novel concept in pharmacophore modeling and virtual screening.
    Steindl TM; Schuster D; Laggner C; Langer T
    J Chem Inf Model; 2006; 46(5):2146-57. PubMed ID: 16995745
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Comparative analysis of pharmacophore screening tools.
    Sanders MP; Barbosa AJ; Zarzycka B; Nicolaes GA; Klomp JP; de Vlieg J; Del Rio A
    J Chem Inf Model; 2012 Jun; 52(6):1607-20. PubMed ID: 22646988
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Toward fully automated high performance computing drug discovery: a massively parallel virtual screening pipeline for docking and molecular mechanics/generalized Born surface area rescoring to improve enrichment.
    Zhang X; Wong SE; Lightstone FC
    J Chem Inf Model; 2014 Jan; 54(1):324-37. PubMed ID: 24358939
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Efficient 3D database screening for novel HIV-1 IN inhibitors.
    Barreca ML; Rao A; De Luca L; Zappalà M; Gurnari C; Monforte P; De Clercq E; Van Maele B; Debyser Z; Witvrouw M; Briggs JM; Chimirri A
    J Chem Inf Comput Sci; 2004; 44(4):1450-5. PubMed ID: 15272853
    [TBL] [Abstract][Full Text] [Related]  

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

  • 7. Cosolvent-Based Protein Pharmacophore for Ligand Enrichment in Virtual Screening.
    Arcon JP; Defelipe LA; Lopez ED; Burastero O; Modenutti CP; Barril X; Marti MA; Turjanski AG
    J Chem Inf Model; 2019 Aug; 59(8):3572-3583. PubMed ID: 31373819
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Common Hits Approach: Combining Pharmacophore Modeling and Molecular Dynamics Simulations.
    Wieder M; Garon A; Perricone U; Boresch S; Seidel T; Almerico AM; Langer T
    J Chem Inf Model; 2017 Feb; 57(2):365-385. PubMed ID: 28072524
    [TBL] [Abstract][Full Text] [Related]  

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

  • 10. 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; 49(10):2333-43. PubMed ID: 19803502
    [TBL] [Abstract][Full Text] [Related]  

  • 11. 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; 45(1):146-59. PubMed ID: 15667140
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Similarity search profiles as a diagnostic tool for the analysis of virtual screening calculations.
    Xue L; Godden JW; Stahura FL; Bajorath J
    J Chem Inf Comput Sci; 2004; 44(4):1275-81. PubMed ID: 15272835
    [TBL] [Abstract][Full Text] [Related]  

  • 13. High throughput virtual screening and E-pharmacophore filtering in the discovery of new BACE-1 inhibitors.
    Muthusamy K; Singh KhD; Chinnasamy S; Nagamani S; Krishnasamy G; Thiyagarajan C; Premkumar P; Anusuyadevi M
    Interdiscip Sci; 2013 Jun; 5(2):119-26. PubMed ID: 23740393
    [TBL] [Abstract][Full Text] [Related]  

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

  • 15. Application of QSAR and shape pharmacophore modeling approaches for targeted chemical library design.
    Ebalunode JO; Zheng W; Tropsha A
    Methods Mol Biol; 2011; 685():111-33. PubMed ID: 20981521
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Exploring the P2 and P3 ligand binding features for hepatitis C virus NS3 protease using some 3D QSAR techniques.
    Wei HY; Lu CS; Lin TH
    J Mol Graph Model; 2008 Apr; 26(7):1131-44. PubMed ID: 18024210
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Reaction-driven de novo design, synthesis and testing of potential type II kinase inhibitors.
    Schneider G; Geppert T; Hartenfeller M; Reisen F; Klenner A; Reutlinger M; Hähnke V; Hiss JA; Zettl H; Keppner S; Spänkuch B; Schneider P
    Future Med Chem; 2011 Mar; 3(4):415-24. PubMed ID: 21452978
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Critical comparison of virtual screening methods against the MUV data set.
    Tiikkainen P; Markt P; Wolber G; Kirchmair J; Distinto S; Poso A; Kallioniemi O
    J Chem Inf Model; 2009 Oct; 49(10):2168-78. PubMed ID: 19799417
    [TBL] [Abstract][Full Text] [Related]  

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

  • 20. Towards improving compound selection in structure-based virtual screening.
    Waszkowycz B
    Drug Discov Today; 2008 Mar; 13(5-6):219-26. PubMed ID: 18342797
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 14.