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Journal Abstract Search

270 related items for PubMed ID: 15185333

  • 21. 5D-QSAR for spirocyclic sigma1 receptor ligands by Quasar receptor surface modeling.
    Oberdorf C, Schmidt TJ, Wünsch B.
    Eur J Med Chem; 2010 Jul; 45(7):3116-24. PubMed ID: 20427100
    [Abstract] [Full Text] [Related]

  • 22. Structures and energies of D-galactose and galabiose conformers as calculated by ab initio and semiempirical methods.
    Rahal-Sekkal M, Sekkal N, Kleb DC, Bleckmann P.
    J Comput Chem; 2003 May; 24(7):806-18. PubMed ID: 12692790
    [Abstract] [Full Text] [Related]

  • 23. 3D-QSAR study of ring-substituted quinoline class of anti-tuberculosis agents.
    Nayyar A, Malde A, Jain R, Coutinho E.
    Bioorg Med Chem; 2006 Feb 01; 14(3):847-56. PubMed ID: 16214351
    [Abstract] [Full Text] [Related]

  • 24. Three-dimensional quantitative structure-activity relationship (3D-QSAR) analyses of choline acetyltransferase inhibitors.
    Chandrasekaran V, McGaughey GB, Cavallito CJ, Bowen JP.
    J Mol Graph Model; 2004 Sep 01; 23(1):69-76. PubMed ID: 15331055
    [Abstract] [Full Text] [Related]

  • 25. Three-dimensional structural analysis of avian-teratogenic pyrimidine dialkyl phosphate esters and their analogs by molecular orbital calculations.
    Eto M.
    Nucleic Acids Symp Ser; 1997 Sep 01; (37):107-8. PubMed ID: 9586022
    [Abstract] [Full Text] [Related]

  • 26. 3D-QSAR comparative molecular field analysis on delta opioid receptor agonist SNC80 and its analogs.
    Peng Y, Keenan SM, Zhang Q, Welsh WJ.
    J Mol Graph Model; 2005 Sep 01; 24(1):25-33. PubMed ID: 15950508
    [Abstract] [Full Text] [Related]

  • 27. CoMFA modeling of human catechol O-methyltransferase enzyme kinetics.
    Sipilä J, Taskinen J.
    J Chem Inf Comput Sci; 2004 Sep 01; 44(1):97-104. PubMed ID: 14741015
    [Abstract] [Full Text] [Related]

  • 28. New AMBER force field parameters of heme iron for cytochrome P450s determined by quantum chemical calculations of simplified models.
    Oda A, Yamaotsu N, Hirono S.
    J Comput Chem; 2005 Jun 01; 26(8):818-26. PubMed ID: 15812779
    [Abstract] [Full Text] [Related]

  • 29. Three-dimensional quantitative structure: activity relationship studies on diverse structural classes of HIV-1 integrase inhibitors using CoMFA and CoMSIA.
    Nunthaboot N, Tonmunphean S, Parasuk V, Wolschann P, Kokpol S.
    Eur J Med Chem; 2006 Dec 01; 41(12):1359-72. PubMed ID: 17002889
    [Abstract] [Full Text] [Related]

  • 30. Pharmacophoric search and 3D-QSAR comparative molecular field analysis studies on agonists of melatonin sheep receptors.
    Marot C, Chavatte P, Morin-Allory L, Viaud MC, Guillaumet G, Renard P, Lesieur D, Michel A.
    J Med Chem; 1998 Nov 05; 41(23):4453-65. PubMed ID: 9804685
    [Abstract] [Full Text] [Related]

  • 31. Development of CoMFA models of affinity and selectivity to angiotensin II type-1 and type-2 receptors.
    Sköld C, Karlén A.
    J Mol Graph Model; 2007 Jul 05; 26(1):145-53. PubMed ID: 17161636
    [Abstract] [Full Text] [Related]

  • 32. 3D-QSAR design of novel antiepileptic sulfamides.
    Gavernet L, Dominguez Cabrera MJ, Bruno-Blanch LE, Estiú GL.
    Bioorg Med Chem; 2007 Feb 01; 15(3):1556-67. PubMed ID: 17158052
    [Abstract] [Full Text] [Related]

  • 33. A ligand-based molecular modeling study on some matrix metalloproteinase-1 inhibitors using several 3D QSAR techniques.
    Tsai KC, Lin TH.
    J Chem Inf Comput Sci; 2004 Feb 01; 44(5):1857-71. PubMed ID: 15446846
    [Abstract] [Full Text] [Related]

  • 34. 3D-QSAR studies of boron-containing dipeptides as proteasome inhibitors with CoMFA and CoMSIA methods.
    Zhu YQ, Lei M, Lu AJ, Zhao X, Yin XJ, Gao QZ.
    Eur J Med Chem; 2009 Apr 01; 44(4):1486-99. PubMed ID: 18771818
    [Abstract] [Full Text] [Related]

  • 35. 3D-QSAR CoMFA of a series of DABO derivatives as HIV-1 reverse transcriptase non-nucleoside inhibitors.
    de Brito MA, Rodrigues CR, Cirino JJ, de Alencastro RB, Castro HC, Albuquerque MG.
    J Chem Inf Model; 2008 Aug 01; 48(8):1706-15. PubMed ID: 18671385
    [Abstract] [Full Text] [Related]

  • 36. Fast, efficient generation of high-quality atomic charges. AM1-BCC model: II. Parameterization and validation.
    Jakalian A, Jack DB, Bayly CI.
    J Comput Chem; 2002 Dec 01; 23(16):1623-41. PubMed ID: 12395429
    [Abstract] [Full Text] [Related]

  • 37. Effects of variable docking conditions and scoring functions on corresponding protein-aligned comparative molecular field analysis models constructed from diverse human protein tyrosine phosphatase 1B inhibitors.
    Taha MO, AlDamen MA.
    J Med Chem; 2005 Dec 15; 48(25):8016-34. PubMed ID: 16335926
    [Abstract] [Full Text] [Related]

  • 38. Enhancement of ordinal CoMFA by ridge logistic partial least squares.
    Ohgaru T, Shimizu R, Okamoto K, Kawashita N, Kawase M, Shirakuni Y, Nishikiori R, Takagi T.
    J Chem Inf Model; 2008 Apr 15; 48(4):910-7. PubMed ID: 18338844
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  • 39. Application of validated QSAR models of D1 dopaminergic antagonists for database mining.
    Oloff S, Mailman RB, Tropsha A.
    J Med Chem; 2005 Nov 17; 48(23):7322-32. PubMed ID: 16279792
    [Abstract] [Full Text] [Related]

  • 40. Comparative molecular field analysis of hydantoin binding to the neuronal voltage-dependent sodium channel.
    Brown ML, Zha CC, Van Dyke CC, Brown GB, Brouillette WJ.
    J Med Chem; 1999 May 06; 42(9):1537-45. PubMed ID: 10229624
    [Abstract] [Full Text] [Related]

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