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Journal Abstract Search

275 related items for PubMed ID: 18693718

  • 21. Informatics and modeling challenges in fragment-based drug discovery.
    Hubbard RE, Chen I, Davis B.
    Curr Opin Drug Discov Devel; 2007 May; 10(3):289-97. PubMed ID: 17554855
    [Abstract] [Full Text] [Related]

  • 22. Quantitative structure-activity relationship models for predicting biological properties, developed by combining structure- and ligand-based approaches: an application to the human ether-a-go-go-related gene potassium channel inhibition.
    Coi A, Massarelli I, Saraceno M, Carli N, Testai L, Calderone V, Bianucci AM.
    Chem Biol Drug Des; 2009 Oct; 74(4):416-33. PubMed ID: 19751420
    [Abstract] [Full Text] [Related]

  • 23. Molecular modelling.
    Barril X, Soliva R.
    Mol Biosyst; 2006 Dec; 2(12):660-81. PubMed ID: 17216047
    [No Abstract] [Full Text] [Related]

  • 24. A common reference framework for analyzing/comparing proteins and ligands. Fingerprints for Ligands and Proteins (FLAP): theory and application.
    Baroni M, Cruciani G, Sciabola S, Perruccio F, Mason JS.
    J Chem Inf Model; 2007 Dec; 47(2):279-94. PubMed ID: 17381166
    [Abstract] [Full Text] [Related]

  • 25. Molecular optimization using computational multi-objective methods.
    Nicolaou CA, Brown N, Pattichis CS.
    Curr Opin Drug Discov Devel; 2007 May; 10(3):316-24. PubMed ID: 17554858
    [Abstract] [Full Text] [Related]

  • 26. Anchor-GRIND: filling the gap between standard 3D QSAR and the GRid-INdependent descriptors.
    Fontaine F, Pastor M, Zamora I, Sanz F.
    J Med Chem; 2005 Apr 07; 48(7):2687-94. PubMed ID: 15801859
    [Abstract] [Full Text] [Related]

  • 27. Binding interaction analysis of the active site and its inhibitors for neuraminidase (N1 subtype) of human influenza virus by the integration of molecular docking, FMO calculation and 3D-QSAR CoMFA modeling.
    Zhang Q, Yang J, Liang K, Feng L, Li S, Wan J, Xu X, Yang G, Liu D, Yang S.
    J Chem Inf Model; 2008 Sep 07; 48(9):1802-12. PubMed ID: 18707092
    [Abstract] [Full Text] [Related]

  • 28. Structure-based druggability assessment--identifying suitable targets for small molecule therapeutics.
    Fauman EB, Rai BK, Huang ES.
    Curr Opin Chem Biol; 2011 Aug 07; 15(4):463-8. PubMed ID: 21704549
    [Abstract] [Full Text] [Related]

  • 29. Complex molecules: do they add value?
    Selzer P, Roth HJ, Ertl P, Schuffenhauer A.
    Curr Opin Chem Biol; 2005 Jun 07; 9(3):310-6. PubMed ID: 15939334
    [Abstract] [Full Text] [Related]

  • 30. New and original pKa prediction method using grid molecular interaction fields.
    Milletti F, Storchi L, Sforna G, Cruciani G.
    J Chem Inf Model; 2007 Jun 07; 47(6):2172-81. PubMed ID: 17910431
    [Abstract] [Full Text] [Related]

  • 31. LigEvolutioner, a new strategy for modification and optimization of lead compounds in receptor/ligand complexes.
    Zhou P, Tian F, Shang Z.
    Chem Biol Drug Des; 2008 Dec 07; 72(6):525-32. PubMed ID: 19090919
    [Abstract] [Full Text] [Related]

  • 32. A novel QSPR study of normalized migration time for drugs in capillary electrophoresis by new descriptors: quantum chemical investigation.
    Riahi S, Beheshti A, Ganjali MR, Norouzi P.
    Electrophoresis; 2008 Oct 07; 29(19):4027-35. PubMed ID: 18958895
    [Abstract] [Full Text] [Related]

  • 33. Physics-based methods for studying protein-ligand interactions.
    Huang N, Jacobson MP.
    Curr Opin Drug Discov Devel; 2007 May 07; 10(3):325-31. PubMed ID: 17554859
    [Abstract] [Full Text] [Related]

  • 34. Molecular descriptor based on a molar refractivity partition using Randic-type graph-theoretical invariant.
    Padrón JA, Carrasco R, Pellón RF.
    J Pharm Pharm Sci; 2002 May 07; 5(3):258-66. PubMed ID: 12553894
    [Abstract] [Full Text] [Related]

  • 35. QSAR models for predicting enzymatic hydrolysis of new chemical entities in 'soft-drug' design.
    Massarelli I, Macchia M, Minutolo F, Prota G, Bianucci AM.
    Bioorg Med Chem; 2009 May 15; 17(10):3543-56. PubMed ID: 19398207
    [Abstract] [Full Text] [Related]

  • 36. Structure-based approach for the study of estrogen receptor binding affinity and subtype selectivity.
    Salum LB, Polikarpov I, Andricopulo AD.
    J Chem Inf Model; 2008 Nov 15; 48(11):2243-53. PubMed ID: 18937440
    [Abstract] [Full Text] [Related]

  • 37. 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 15; 48(6):1211-26. PubMed ID: 18540590
    [Abstract] [Full Text] [Related]

  • 38. Structure-based maximal affinity model predicts small-molecule druggability.
    Cheng AC, Coleman RG, Smyth KT, Cao Q, Soulard P, Caffrey DR, Salzberg AC, Huang ES.
    Nat Biotechnol; 2007 Jan 15; 25(1):71-5. PubMed ID: 17211405
    [Abstract] [Full Text] [Related]

  • 39. Predicting the accuracy of ligand overlay methods with Random Forest models.
    Nandigam RK, Evans DA, Erickson JA, Kim S, Sutherland JJ.
    J Chem Inf Model; 2008 Dec 15; 48(12):2386-94. PubMed ID: 19053524
    [Abstract] [Full Text] [Related]

  • 40. 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 15; 49(7):1715-24. PubMed ID: 19522467
    [Abstract] [Full Text] [Related]

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