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Pubmed for Handhelds

PUBMED FOR HANDHELDS

Journal Abstract Search

121 related items for PubMed ID: 21318899

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  • 5. A pharmacophore docking algorithm and its application to the cross-docking of 18 HIV-NNRTI's in their binding pockets.
    Daeyaert F, de Jonge M, Heeres J, Koymans L, Lewi P, Vinkers MH, Janssen PA.
    Proteins; 2004 Feb 15; 54(3):526-33. PubMed ID: 14748000
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  • 6. Combining structure-based drug design and pharmacophores.
    Griffith R, Luu TT, Garner J, Keller PA.
    J Mol Graph Model; 2005 Apr 15; 23(5):439-46. PubMed ID: 15781186
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  • 9. Computational design of novel fullerene analogues as potential HIV-1 PR inhibitors: Analysis of the binding interactions between fullerene inhibitors and HIV-1 PR residues using 3D QSAR, molecular docking and molecular dynamics simulations.
    Durdagi S, Mavromoustakos T, Chronakis N, Papadopoulos MG.
    Bioorg Med Chem; 2008 Dec 01; 16(23):9957-74. PubMed ID: 18996019
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  • 10. The use of protein-ligand interaction fingerprints in docking.
    Brewerton SC.
    Curr Opin Drug Discov Devel; 2008 May 01; 11(3):356-64. PubMed ID: 18428089
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  • 12. Fragment shuffling: an automated workflow for three-dimensional fragment-based ligand design.
    Nisius B, Rester U.
    J Chem Inf Model; 2009 May 01; 49(5):1211-22. PubMed ID: 19413347
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  • 13. Mapping the energetics of water-protein and water-ligand interactions with the "natural" HINT forcefield: predictive tools for characterizing the roles of water in biomolecules.
    Amadasi A, Spyrakis F, Cozzini P, Abraham DJ, Kellogg GE, Mozzarelli A.
    J Mol Biol; 2006 Apr 21; 358(1):289-309. PubMed ID: 16497327
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  • 14. Interpretation of scoring functions using 3D molecular fields. Mapping the diacyl-hydrazine-binding pocket of an insect ecdysone receptor.
    Bordas B, Belai I, Lopata A, Szanto Z.
    J Chem Inf Model; 2007 Apr 21; 47(1):176-85. PubMed ID: 17238263
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  • 15. Prediction of ligand-receptor binding thermodynamics by free energy force field three-dimensional quantitative structure-activity relationship analysis: applications to a set of glucose analogue inhibitors of glycogen phosphorylase.
    Venkatarangan P, Hopfinger AJ.
    J Med Chem; 1999 Jun 17; 42(12):2169-79. PubMed ID: 10377222
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  • 17. 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 17; 48(9):1802-12. PubMed ID: 18707092
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