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Journal Abstract Search

166 related items for PubMed ID: 22222456

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  • 2. Hydration properties of ligands and drugs in protein binding sites: tightly-bound, bridging water molecules and their effects and consequences on molecular design strategies.
    García-Sosa AT.
    J Chem Inf Model; 2013 Jun 24; 53(6):1388-405. PubMed ID: 23662606
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  • 3. 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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  • 4. 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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  • 5. Structural parameterization of the binding enthalpy of small ligands.
    Luque I, Freire E.
    Proteins; 2002 Nov 01; 49(2):181-90. PubMed ID: 12210999
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  • 6. Analysis of ligand-bound water molecules in high-resolution crystal structures of protein-ligand complexes.
    Lu Y, Wang R, Yang CY, Wang S.
    J Chem Inf Model; 2007 Nov 01; 47(2):668-75. PubMed ID: 17266298
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  • 14. 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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  • 16. Standard free energy of releasing a localized water molecule from the binding pockets of proteins: double-decoupling method.
    Hamelberg D, McCammon JA.
    J Am Chem Soc; 2004 Jun 23; 126(24):7683-9. PubMed ID: 15198616
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  • 17. A "solvated rotamer" approach to modeling water-mediated hydrogen bonds at protein-protein interfaces.
    Jiang L, Kuhlman B, Kortemme T, Baker D.
    Proteins; 2005 Mar 01; 58(4):893-904. PubMed ID: 15651050
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  • 19. Analysis of solvent structure in proteins using neutron D2O-H2O solvent maps: pattern of primary and secondary hydration of trypsin.
    Kossiakoff AA, Sintchak MD, Shpungin J, Presta LG.
    Proteins; 1992 Mar 01; 12(3):223-36. PubMed ID: 1557350
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