Article
Hydration free energies and entropies for water in protein interiors.
Journal of the American Chemical Society - 30 Jun 2004
Olano L Renee, Rick Steven W
Abstract excerpt
Free energy calculations for the transfer of a water molecule from the pure liquid to an interior cavity site in a protein are presented. Two different protein cavities, in bovine pancreatic trypsin inhibitor (BPTI) and in the I76A mutant of barnase, represent very different environments for the water molecule: one which is polar, forming four water-protein hydrogen bonds, and one which is more hydrophobic,...
Read the complete abstract on PubMedTopics
Share this publication in a Topic to start or enrich a Post.