The thermodynamic influence of trapped water molecules on a protein-ligand interaction.

نویسندگان

  • Christian M Stegmann
  • Daniel Seeliger
  • George M Sheldrick
  • Bert L de Groot
  • Markus C Wahl
چکیده

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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عنوان ژورنال:
  • Angewandte Chemie

دوره 48 28  شماره 

صفحات  -

تاریخ انتشار 2009