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Journal Abstract Search

768 related items for PubMed ID: 23662606

  • 1. 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. 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 Jun 24; 47(2):668-75. PubMed ID: 17266298
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  • 5. 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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  • 7. Impact of ligand and protein desolvation on ligand binding to the S1 pocket of thrombin.
    Biela A, Khayat M, Tan H, Kong J, Heine A, Hangauer D, Klebe G.
    J Mol Biol; 2012 May 18; 418(5):350-66. PubMed ID: 22366545
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  • 8. 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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  • 10. Including tightly-bound water molecules in de novo drug design. Exemplification through the in silico generation of poly(ADP-ribose)polymerase ligands.
    García-Sosa AT, Firth-Clark S, Mancera RL.
    J Chem Inf Model; 2005 Mar 07; 45(3):624-33. PubMed ID: 15921452
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  • 12. Accounting for solvent in structure-based drug design.
    Tari LW.
    Methods Mol Biol; 2012 Mar 07; 841():251-66. PubMed ID: 22222456
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  • 15. Fluorine in medicinal chemistry.
    Böhm HJ, Banner D, Bendels S, Kansy M, Kuhn B, Müller K, Obst-Sander U, Stahl M.
    Chembiochem; 2004 May 03; 5(5):637-43. PubMed ID: 15122635
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  • 16. Hydration in drug design. 2. Influence of local site surface shape on water binding.
    Poornima CS, Dean PM.
    J Comput Aided Mol Des; 1995 Dec 03; 9(6):513-20. PubMed ID: 8789193
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  • 19. 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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  • 20. Simplified AutoDock force field for hydrated binding sites.
    Wojciechowski M.
    J Mol Graph Model; 2017 Nov 23; 78():74-80. PubMed ID: 29054096
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