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Journal Abstract Search

275 related items for PubMed ID: 18693718

  • 1.
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  • 2. Ranking poses in structure-based lead discovery and optimization: current trends in scoring function development.
    Rajamani R, Good AC.
    Curr Opin Drug Discov Devel; 2007 May; 10(3):308-15. PubMed ID: 17554857
    [Abstract] [Full Text] [Related]

  • 3. Flexible 3D pharmacophores as descriptors of dynamic biological space.
    Nettles JH, Jenkins JL, Williams C, Clark AM, Bender A, Deng Z, Davies JW, Glick M.
    J Mol Graph Model; 2007 Oct; 26(3):622-33. PubMed ID: 17395510
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  • 4. Molecular modeling of hydration in drug design.
    Mancera RL.
    Curr Opin Drug Discov Devel; 2007 May; 10(3):275-80. PubMed ID: 17554853
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  • 5. Pocket extraction on proteins via the Voronoi diagram of spheres.
    Kim D, Cho CH, Cho Y, Ryu J, Bhak J, Kim DS.
    J Mol Graph Model; 2008 Apr; 26(7):1104-12. PubMed ID: 18023220
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  • 6. Atomic property fields: generalized 3D pharmacophoric potential for automated ligand superposition, pharmacophore elucidation and 3D QSAR.
    Totrov M.
    Chem Biol Drug Des; 2008 Jan; 71(1):15-27. PubMed ID: 18069986
    [Abstract] [Full Text] [Related]

  • 7. Form follows function: shape analysis of protein cavities for receptor-based drug design.
    Weisel M, Proschak E, Kriegl JM, Schneider G.
    Proteomics; 2009 Jan; 9(2):451-9. PubMed ID: 19142949
    [Abstract] [Full Text] [Related]

  • 8. Application of 3D-QSAR in the rational design of receptor ligands and enzyme inhibitors.
    Mor M, Rivara S, Lodola A, Lorenzi S, Bordi F, Plazzi PV, Spadoni G, Bedini A, Duranti A, Tontini A, Tarzia G.
    Chem Biodivers; 2005 Nov; 2(11):1438-51. PubMed ID: 17191945
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  • 11. Towards improving compound selection in structure-based virtual screening.
    Waszkowycz B.
    Drug Discov Today; 2008 Mar; 13(5-6):219-26. PubMed ID: 18342797
    [Abstract] [Full Text] [Related]

  • 12. A novel method for protein-ligand binding affinity prediction and the related descriptors exploration.
    Li S, Xi L, Wang C, Li J, Lei B, Liu H, Yao X.
    J Comput Chem; 2009 Apr 30; 30(6):900-9. PubMed ID: 18785151
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  • 15. Bridging chemical and biological space: "target fishing" using 2D and 3D molecular descriptors.
    Nettles JH, Jenkins JL, Bender A, Deng Z, Davies JW, Glick M.
    J Med Chem; 2006 Nov 16; 49(23):6802-10. PubMed ID: 17154510
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  • 17. Computational chemistry approaches to drug discovery in signal transduction.
    Fischer PM.
    Biotechnol J; 2008 Apr 16; 3(4):452-70. PubMed ID: 18412174
    [Abstract] [Full Text] [Related]

  • 18. DASH: a novel analysis method for molecular dynamics simulation data. Analysis of ligands of PPAR-gamma.
    Salt DW, Hudson BD, Banting L, Ellis MJ, Ford MG.
    J Med Chem; 2005 May 05; 48(9):3214-20. PubMed ID: 15857127
    [Abstract] [Full Text] [Related]

  • 19. From modeling to medicinal chemistry: automatic generation of two-dimensional complex diagrams.
    Stierand K, Rarey M.
    ChemMedChem; 2007 Jun 05; 2(6):853-60. PubMed ID: 17436259
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  • 20. In silico identification of bioisosteric functional groups.
    Ertl P.
    Curr Opin Drug Discov Devel; 2007 May 05; 10(3):281-8. PubMed ID: 17554854
    [Abstract] [Full Text] [Related]

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