Water Dynamics in the Hydration Shells of Biomolecules

被引：651

作者：

Laage, Damien ^{[1
,2
]}

Elsaesser, Thomas ^{[3
]}

Hynes, James T. ^{[1
,2
,4
]}

机构：

[1] UPMC Univ Paris 06, PSL Res Univ, CNRS, PASTEUR,Dept Chim,Ecole Normale Super, 24 Rue Lhomond, F-75005 Paris, France

[2] UPMC Univ Paris 06, Sorbonne Univ, CNRS, ENS,PASTEUR, F-75005 Paris, France

[3] Max Born Inst Nichtlineare Opt & Kurzzeitspektros, D-12489 Berlin, Germany

[4] Univ Colorado, Dept Chem & Biochem, Boulder, CO 80309 USA

来源：

CHEMICAL REVIEWS | 2017年 / 117卷 / 16期

基金：

欧洲研究理事会; 美国国家科学基金会;

关键词：

EXCITED-STATE DYNAMICS; HYDROGEN-BOND DYNAMICS; ULTRAFAST VIBRATIONAL DYNAMICS; ANALYZING ION DISTRIBUTIONS; MOLECULAR-DYNAMICS; PROTEIN HYDRATION; B-DNA; X-RAY; SOLVATION DYNAMICS; NEUTRON-SCATTERING;

D O I：

10.1021/acs.chemrev.6b00765

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The structure and function of biomolecules are strongly influenced by their hydration shells. Structural fluctuations and molecular excitations of *rating 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 relaxationand 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.

引用

页码：10694 / 10725

页数：32

共 297 条

[91] Watching Proteins Wiggle: Mapping Structures with Two Dimensional Infrared Spectroscopy [J].