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Water Dynamics in the Hydration Shells of Biomolecules
Author(s) -
Damien Laage,
Thomas Elsaesser,
James T. Hynes
Publication year - 2017
Publication title -
chemical reviews
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 20.528
H-Index - 700
eISSN - 1520-6890
pISSN - 0009-2665
DOI - 10.1021/acs.chemrev.6b00765
Subject(s) - biomolecule , chemistry , chemical physics , microsecond , femtosecond , molecular dynamics , molecule , relaxation (psychology) , nanotechnology , computational chemistry , physics , materials science , psychology , social psychology , laser , biochemistry , organic chemistry , astronomy , optics
The structure and function of biomolecules are strongly influenced by their hydration shells. Structural fluctuations and molecular excitations of hydrating water molecules cover a broad range in space and time, from individual water molecules to larger pools and from femtosecond to microsecond time scales. Recent progress in theory and molecular dynamics simulations as well as in ultrafast vibrational spectroscopy has led to new and detailed insight into fluctuations of water structure, elementary water motions, electric fields at hydrated biointerfaces, and processes of vibrational relaxation and energy dissipation. Here, we review recent advances in both theory and experiment, focusing on hydrated DNA, proteins, and phospholipids, and compare dynamics in the hydration shells to bulk water.

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