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255 related items for PubMed ID: 17331468

  • 1. A novel structure-based virtual screening model for the hERG channel blockers.
    Du L, Li M, You Q, Xia L.
    Biochem Biophys Res Commun; 2007 Apr 20; 355(4):889-94. PubMed ID: 17331468
    [Abstract] [Full Text] [Related]

  • 2. Combined receptor and ligand-based approach to the universal pharmacophore model development for studies of drug blockade to the hERG1 pore domain.
    Durdagi S, Duff HJ, Noskov SY.
    J Chem Inf Model; 2011 Feb 28; 51(2):463-74. PubMed ID: 21241063
    [Abstract] [Full Text] [Related]

  • 3. Interaction simulation of hERG K+ channel with its specific BeKm-1 peptide: insights into the selectivity of molecular recognition.
    Yi H, Cao Z, Yin S, Dai C, Wu Y, Li W.
    J Proteome Res; 2007 Feb 28; 6(2):611-20. PubMed ID: 17269718
    [Abstract] [Full Text] [Related]

  • 4. Side chain flexibilities in the human ether-a-go-go related gene potassium channel (hERG) together with matched-pair binding studies suggest a new binding mode for channel blockers.
    Zachariae U, Giordanetto F, Leach AG.
    J Med Chem; 2009 Jul 23; 52(14):4266-76. PubMed ID: 19534531
    [Abstract] [Full Text] [Related]

  • 5. New insights about HERG blockade obtained from protein modeling, potential energy mapping, and docking studies.
    Farid R, Day T, Friesner RA, Pearlstein RA.
    Bioorg Med Chem; 2006 May 01; 14(9):3160-73. PubMed ID: 16413785
    [Abstract] [Full Text] [Related]

  • 6. Toward a consensus model of the HERG potassium channel.
    Stary A, Wacker SJ, Boukharta L, Zachariae U, Karimi-Nejad Y, Aqvist J, Vriend G, de Groot BL.
    ChemMedChem; 2010 Mar 01; 5(3):455-67. PubMed ID: 20104563
    [Abstract] [Full Text] [Related]

  • 7. Computer simulations of structure-activity relationships for HERG channel blockers.
    Boukharta L, Keränen H, Stary-Weinzinger A, Wallin G, de Groot BL, Aqvist J.
    Biochemistry; 2011 Jul 12; 50(27):6146-56. PubMed ID: 21657256
    [Abstract] [Full Text] [Related]

  • 8. A binary QSAR model for classification of hERG potassium channel blockers.
    Thai KM, Ecker GF.
    Bioorg Med Chem; 2008 Apr 01; 16(7):4107-19. PubMed ID: 18243713
    [Abstract] [Full Text] [Related]

  • 9. [HERG K+ channel, the target of anti-arrhythmias drugs].
    Guan FY, Yang SJ.
    Yao Xue Xue Bao; 2007 Jul 01; 42(7):687-91. PubMed ID: 17882949
    [Abstract] [Full Text] [Related]

  • 10. A novel approach using pharmacophore ensemble/support vector machine (PhE/SVM) for prediction of hERG liability.
    Leong MK.
    Chem Res Toxicol; 2007 Feb 01; 20(2):217-26. PubMed ID: 17261034
    [Abstract] [Full Text] [Related]

  • 11. Prospective validation of a comprehensive in silico hERG model and its applications to commercial compound and drug databases.
    Doddareddy MR, Klaasse EC, Shagufta, Ijzerman AP, Bender A.
    ChemMedChem; 2010 May 03; 5(5):716-29. PubMed ID: 20349498
    [Abstract] [Full Text] [Related]

  • 12. A comprehensive support vector machine binary hERG classification model based on extensive but biased end point hERG data sets.
    Shen MY, Su BH, Esposito EX, Hopfinger AJ, Tseng YJ.
    Chem Res Toxicol; 2011 Jun 20; 24(6):934-49. PubMed ID: 21504223
    [Abstract] [Full Text] [Related]

  • 13. A composite model for HERG blockade.
    Kramer C, Beck B, Kriegl JM, Clark T.
    ChemMedChem; 2008 Feb 20; 3(2):254-65. PubMed ID: 18061919
    [Abstract] [Full Text] [Related]

  • 14. Tuning out of hERG.
    Aronov AM.
    Curr Opin Drug Discov Devel; 2008 Jan 20; 11(1):128-40. PubMed ID: 18175275
    [Abstract] [Full Text] [Related]

  • 15. Predictive in silico modeling for hERG channel blockers.
    Aronov AM.
    Drug Discov Today; 2005 Jan 15; 10(2):149-55. PubMed ID: 15718164
    [Abstract] [Full Text] [Related]

  • 16. hERG classification model based on a combination of support vector machine method and GRIND descriptors.
    Li Q, Jørgensen FS, Oprea T, Brunak S, Taboureau O.
    Mol Pharm; 2008 Jan 15; 5(1):117-27. PubMed ID: 18197627
    [Abstract] [Full Text] [Related]

  • 17. Insights for human ether-a-go-go-related gene potassium channel inhibition using recursive partitioning and Kohonen and Sammon mapping techniques.
    Ekins S, Balakin KV, Savchuk N, Ivanenkov Y.
    J Med Chem; 2006 Aug 24; 49(17):5059-71. PubMed ID: 16913696
    [Abstract] [Full Text] [Related]

  • 18. Determination of hERG channel blockers using a decision tree.
    Gepp MM, Hutter MC.
    Bioorg Med Chem; 2006 Aug 01; 14(15):5325-32. PubMed ID: 16616507
    [Abstract] [Full Text] [Related]

  • 19. Modeling the hERG potassium channel in a phospholipid bilayer: Molecular dynamics and drug docking studies.
    Masetti M, Cavalli A, Recanatini M.
    J Comput Chem; 2008 Apr 15; 29(5):795-808. PubMed ID: 17926340
    [Abstract] [Full Text] [Related]

  • 20. Molecular dynamics and continuum electrostatics studies of inactivation in the HERG potassium channel.
    Kutteh R, Vandenberg JI, Kuyucak S.
    J Phys Chem B; 2007 Feb 08; 111(5):1090-8. PubMed ID: 17266262
    [Abstract] [Full Text] [Related]

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