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  • Title: The thermodynamic influence of trapped water molecules on a protein-ligand interaction.
    Author: Stegmann CM, Seeliger D, Sheldrick GM, de Groot BL, Wahl MC.
    Journal: Angew Chem Int Ed Engl; 2009; 48(28):5207-10. PubMed ID: 19499554.
    Abstract:
    Water molecules doing time: Atomic-resolution crystal structures of the PPIase domain of cyclophilin G, alone and in complex with cyclosporin A, and together with MD simulations and calorimetry, reveal how trapped water molecules influence the thermodynamic profile of a protein-ligand interaction.
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