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Journal Abstract Search

108 related items for PubMed ID: 19718684

  • 1. Library screening by fragment-based docking.
    Huang D, Caflisch A.
    J Mol Recognit; 2010; 23(2):183-93. PubMed ID: 19718684
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  • 2. Automatic and efficient decomposition of two-dimensional structures of small molecules for fragment-based high-throughput docking.
    Kolb P, Caflisch A.
    J Med Chem; 2006 Dec 14; 49(25):7384-92. PubMed ID: 17149868
    [Abstract] [Full Text] [Related]

  • 3. Flaviviral protease inhibitors identified by fragment-based library docking into a structure generated by molecular dynamics.
    Ekonomiuk D, Su XC, Ozawa K, Bodenreider C, Lim SP, Otting G, Huang D, Caflisch A.
    J Med Chem; 2009 Aug 13; 52(15):4860-8. PubMed ID: 19572550
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  • 4. Structure-based tailoring of compound libraries for high-throughput screening: discovery of novel EphB4 kinase inhibitors.
    Kolb P, Kipouros CB, Huang D, Caflisch A.
    Proteins; 2008 Oct 13; 73(1):11-8. PubMed ID: 18384152
    [Abstract] [Full Text] [Related]

  • 5. High-throughput virtual screening lead to discovery of non-peptidic inhibitors of West Nile virus NS3 protease.
    Huang D.
    Methods Mol Biol; 2012 Oct 13; 819():615-23. PubMed ID: 22183561
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  • 6. 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
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  • 9. E-novo: an automated workflow for efficient structure-based lead optimization.
    Pearce BC, Langley DR, Kang J, Huang H, Kulkarni A.
    J Chem Inf Model; 2009 Jul 12; 49(7):1797-809. PubMed ID: 19552372
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  • 10. In silico fragment screening by replica generation (FSRG) method for fragment-based drug design.
    Fukunishi Y, Mashimo T, Orita M, Ohno K, Nakamura H.
    J Chem Inf Model; 2009 Apr 12; 49(4):925-33. PubMed ID: 19354203
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  • 12. Comparing performance of computational tools for combinatorial library design.
    Evensen E, Eksterowicz JE, Stanton RV, Oshiro C, Grootenhuis PD, Bradley EK.
    J Med Chem; 2003 Nov 20; 46(24):5125-8. PubMed ID: 14613315
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  • 14. Optimizing fragment and scaffold docking by use of molecular interaction fingerprints.
    Marcou G, Rognan D.
    J Chem Inf Model; 2007 Nov 20; 47(1):195-207. PubMed ID: 17238265
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  • 16. CDK2/cyclinA inhibitors: targeting the cyclinA recruitment site with small molecules derived from peptide leads.
    Castanedo G, Clark K, Wang S, Tsui V, Wong M, Nicholas J, Wickramasinghe D, Marsters JC, Sutherlin D.
    Bioorg Med Chem Lett; 2006 Mar 15; 16(6):1716-20. PubMed ID: 16384702
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  • 17. Efficient search of chemical space: navigating from fragments to structurally diverse chemotypes.
    Wassermann AM, Kutchukian PS, Lounkine E, Luethi T, Hamon J, Bocker MT, Malik HA, Cowan-Jacob SW, Glick M.
    J Med Chem; 2013 Nov 14; 56(21):8879-91. PubMed ID: 24117015
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  • 18. Critical assessment of the automated AutoDock as a new docking tool for virtual screening.
    Park H, Lee J, Lee S.
    Proteins; 2006 Nov 15; 65(3):549-54. PubMed ID: 16988956
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