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Updated: Jun 22, 2026
09:42
Unraveling Entropic Rate Acceleration Induced by Solvent Dynamics in Membrane Enzymes
Published on: January 16, 2016
The thermodynamic influence of trapped water molecules on a protein-ligand interaction
Christian M Stegmann1, Daniel Seeliger, George M Sheldrick
1Research Group X-ray Crystallography, Max Planck Institute for Biophysical Chemistry, Am Fassberg 11, 37077 Göttingen, Germany.
Angewandte Chemie (International Ed. in English)
|June 6, 2009
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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