Ferroelectric hydration shells around proteins: Electrostatics of the protein/water interface

Details Ferroelectric hydration shells around proteins: Electrostatics of the protein/water interface Ferroelectric hydration shells around proteins: Electrostatics of the protein/water interface

2010-01-25

arxiv.org/abs/1001.4476v2

Physics

Biological Physics

Published in J. Phys. Chem. B, withdrawn to comply with the publication policies of the ACS

Scientific paper

Numerical simulations of hydrated proteins show that protein hydration shells are polarized into a ferroelectric cluster with a large magnitude of its average dipole moment. The emergence of this new mesophase dramatically alters the statistics of electrostatic fluctuations at the protein/water interface. The linear-response relation between the average electrostatic potential and its variance breaks down, with the breadth of the electrostatic noise far exceeding the expectations of the linear response theories. The dynamics of these non-Gaussian electrostatic fluctuations are dominated by a slow (~ 1 ns) component which freezes in at the temperature of dynamical transition of proteins.

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