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J Am Chem Soc. 2008 Apr 9;130(14):4586-7. doi: 10.1021/ja710526r. Epub 2008 Mar 14.

Coincidence of dynamical transitions in a soluble protein and its hydration water: direct measurements by neutron scattering and MD simulations.

Author information

1
Laboratoire de Biophysique Moléculaire, Institut de Biologie Structurale, Jean Pierre EBEL, 41 rue Jules Horowitz, F-38027 Grenoble, France.

Abstract

The coupling between protein dynamics and hydration-water dynamics was assessed by perdeuteration, temperature-dependent neutron scattering, and molecular dynamics simulations. Mean square displacements of water and protein motions both show a broad transition at 220 K and are thus coupled. In particular, the protein dynamical transition appears to be driven by the onset of hydration-water translational motion.

PMID:
18338890
DOI:
10.1021/ja710526r
[Indexed for MEDLINE]

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