The thermodynamic influence of trapped water molecules on a protein-ligand interaction.
Christian M Stegmann, Daniel Seeliger, George M Sheldrick, Bert L de Groot, Markus C Wahl
Research Group X-ray Crystallography, Max Planck Institute for Biophysical Chemistry, Am Fassberg 11, 37077 Göttingen, Germany.
Angewandte Chemie (International ed. in English) 2009Water 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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Christian M Stegmann, Daniel Seeliger, George M Sheldrick, Bert L de Groot, Markus C Wahl. The thermodynamic influence of trapped water molecules on a protein-ligand interaction. Angewandte Chemie (International ed. in English). 2009;48(28):5207-10
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PMID: 19499554
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