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Journal Abstract Search

418 related items for PubMed ID: 21452852

  • 1. Molecular docking with ligand attached water molecules.
    Lie MA, Thomsen R, Pedersen CN, Schiøtt B, Christensen MH.
    J Chem Inf Model; 2011 Apr 25; 51(4):909-17. PubMed ID: 21452852
    [Abstract] [Full Text] [Related]

  • 2. FDS: flexible ligand and receptor docking with a continuum solvent model and soft-core energy function.
    Taylor RD, Jewsbury PJ, Essex JW.
    J Comput Chem; 2003 Oct 25; 24(13):1637-56. PubMed ID: 12926007
    [Abstract] [Full Text] [Related]

  • 3. Modeling water molecules in protein-ligand docking using GOLD.
    Verdonk ML, Chessari G, Cole JC, Hartshorn MJ, Murray CW, Nissink JW, Taylor RD, Taylor R.
    J Med Chem; 2005 Oct 06; 48(20):6504-15. PubMed ID: 16190776
    [Abstract] [Full Text] [Related]

  • 4. Classification of water molecules in protein binding sites.
    Barillari C, Taylor J, Viner R, Essex JW.
    J Am Chem Soc; 2007 Mar 07; 129(9):2577-87. PubMed ID: 17288418
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  • 5. Ligand-protein docking with water molecules.
    Roberts BC, Mancera RL.
    J Chem Inf Model; 2008 Feb 07; 48(2):397-408. PubMed ID: 18211049
    [Abstract] [Full Text] [Related]

  • 6. Docking ligands into flexible and solvated macromolecules. 3. Impact of input ligand conformation, protein flexibility, and water molecules on the accuracy of docking programs.
    Corbeil CR, Moitessier N.
    J Chem Inf Model; 2009 Apr 07; 49(4):997-1009. PubMed ID: 19391631
    [Abstract] [Full Text] [Related]

  • 7. Rational automatic search method for stable docking models of protein and ligand.
    Mizutani MY, Tomioka N, Itai A.
    J Mol Biol; 1994 Oct 21; 243(2):310-26. PubMed ID: 7932757
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  • 12. Development and validation of a genetic algorithm for flexible docking.
    Jones G, Willett P, Glen RC, Leach AR, Taylor R.
    J Mol Biol; 1997 Apr 04; 267(3):727-48. PubMed ID: 9126849
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  • 16. Fully automated molecular mechanics based induced fit protein-ligand docking method.
    Koska J, Spassov VZ, Maynard AJ, Yan L, Austin N, Flook PK, Venkatachalam CM.
    J Chem Inf Model; 2008 Oct 04; 48(10):1965-73. PubMed ID: 18816046
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  • 17. Carbohydrate-binding proteins: Dissecting ligand structures through solvent environment occupancy.
    Gauto DF, Di Lella S, Guardia CM, Estrin DA, Martí MA.
    J Phys Chem B; 2009 Jun 25; 113(25):8717-24. PubMed ID: 19485380
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  • 18. Molecular modeling of hydration in drug design.
    Mancera RL.
    Curr Opin Drug Discov Devel; 2007 May 25; 10(3):275-80. PubMed ID: 17554853
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  • 19. Protein-ligand docking using mutually orthogonal Latin squares (MOLSDOCK).
    Viji SN, Prasad PA, Gautham N.
    J Chem Inf Model; 2009 Dec 25; 49(12):2687-94. PubMed ID: 19968302
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