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Journal Abstract Search

272 related items for PubMed ID: 19413347

  • 21. An integrated approach to ligand- and structure-based drug design: development and application to a series of serine protease inhibitors.
    Nicolotti O, Miscioscia TF, Carotti A, Leonetti F, Carotti A.
    J Chem Inf Model; 2008 Jun; 48(6):1211-26. PubMed ID: 18540590
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  • 22. Binding response: a descriptor for selecting ligand binding site on protein surfaces.
    Zhong S, MacKerell AD.
    J Chem Inf Model; 2007 Jun; 47(6):2303-15. PubMed ID: 17900106
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  • 23. Novel prostaglandin D synthase inhibitors generated by fragment-based drug design.
    Hohwy M, Spadola L, Lundquist B, Hawtin P, Dahmén J, Groth-Clausen I, Nilsson E, Persdotter S, von Wachenfeldt K, Folmer RH, Edman K.
    J Med Chem; 2008 Apr 10; 51(7):2178-86. PubMed ID: 18341273
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  • 24. A fragment-based approach for the discovery of isoform-specific p38alpha inhibitors.
    Chen J, Zhang Z, Stebbins JL, Zhang X, Hoffman R, Moore A, Pellecchia M.
    ACS Chem Biol; 2007 May 22; 2(5):329-36. PubMed ID: 17465519
    [Abstract] [Full Text] [Related]

  • 25. Recent developments in de novo design and scaffold hopping.
    Mauser H, Guba W.
    Curr Opin Drug Discov Devel; 2008 May 22; 11(3):365-74. PubMed ID: 18428090
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  • 26. Fragment-based lead discovery: screening and optimizing fragments for thermolysin inhibition.
    Englert L, Silber K, Steuber H, Brass S, Over B, Gerber HD, Heine A, Diederich WE, Klebe G.
    ChemMedChem; 2010 Jun 07; 5(6):930-40. PubMed ID: 20394106
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  • 27. Using active site mapping and receptor-based pharmacophore tools: prelude to docking and de novo/fragment-based ligand design.
    Tripathi A, Surface JA, Kellogg GE.
    Methods Mol Biol; 2011 Jun 07; 716():39-54. PubMed ID: 21318899
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  • 28. Key factors for successful generation of protein-fragment structures requirement on protein, crystals, and technology.
    Böttcher J, Jestel A, Kiefersauer R, Krapp S, Nagel S, Steinbacher S, Steuber H.
    Methods Enzymol; 2011 Jun 07; 493():61-89. PubMed ID: 21371587
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  • 29. A novel computational tool for automated structure-based drug design.
    Böhm HJ.
    J Mol Recognit; 1993 Sep 07; 6(3):131-7. PubMed ID: 8060670
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  • 30. Scoring ligand similarity in structure-based virtual screening.
    Zavodszky MI, Rohatgi A, Van Voorst JR, Yan H, Kuhn LA.
    J Mol Recognit; 2009 Sep 07; 22(4):280-92. PubMed ID: 19235177
    [Abstract] [Full Text] [Related]

  • 31. Discovery and design of novel HSP90 inhibitors using multiple fragment-based design strategies.
    Huth JR, Park C, Petros AM, Kunzer AR, Wendt MD, Wang X, Lynch CL, Mack JC, Swift KM, Judge RA, Chen J, Richardson PL, Jin S, Tahir SK, Matayoshi ED, Dorwin SA, Ladror US, Severin JM, Walter KA, Bartley DM, Fesik SW, Elmore SW, Hajduk PJ.
    Chem Biol Drug Des; 2007 Jul 07; 70(1):1-12. PubMed ID: 17630989
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  • 32. 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 07; 49(4):767-79. PubMed ID: 19309114
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  • 33. Electron density guided fragment-based drug design--a lead generation example.
    Abad MC, Gibbs AC, Zhang X.
    Methods Enzymol; 2011 Apr 07; 493():487-508. PubMed ID: 21371603
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  • 34. Multitemplate alignment method for the development of a reliable 3D-QSAR model for the analysis of MMP3 inhibitors.
    Tuccinardi T, Ortore G, Santos MA, Marques SM, Nuti E, Rossello A, Martinelli A.
    J Chem Inf Model; 2009 Jul 07; 49(7):1715-24. PubMed ID: 19522467
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  • 35. Recent advances in de novo design strategy for practical lead identification.
    Honma T.
    Med Res Rev; 2003 Sep 07; 23(5):606-32. PubMed ID: 12789688
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  • 36. Flux (2): comparison of molecular mutation and crossover operators for ligand-based de novo design.
    Fechner U, Schneider G.
    J Chem Inf Model; 2007 Sep 07; 47(2):656-67. PubMed ID: 17315990
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  • 37. Making drugs on proteins: site-directed ligand discovery for fragment-based lead assembly.
    Erlanson DA, Hansen SK.
    Curr Opin Chem Biol; 2004 Aug 07; 8(4):399-406. PubMed ID: 15288250
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  • 38. Hot-spots-guided receptor-based pharmacophores (HS-Pharm): a knowledge-based approach to identify ligand-anchoring atoms in protein cavities and prioritize structure-based pharmacophores.
    Barillari C, Marcou G, Rognan D.
    J Chem Inf Model; 2008 Jul 07; 48(7):1396-410. PubMed ID: 18570371
    [Abstract] [Full Text] [Related]

  • 39. Structure-based design of enzyme inhibitors and receptor ligands.
    Kubinyi H.
    Curr Opin Drug Discov Devel; 1998 Jul 07; 1(1):4-15. PubMed ID: 19649784
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  • 40. De novo drug design: integration of structure-based and ligand-based methods.
    Dean PM, Lloyd DG, Todorov NP.
    Curr Opin Drug Discov Devel; 2004 May 07; 7(3):347-53. PubMed ID: 15216939
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