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Water Dynamics in the Hydration Shells of Biomolecules
Chemical Reviews ( IF 51.4 ) Pub Date : 2017-03-01 00:00:00 , DOI: 10.1021/acs.chemrev.6b00765
Damien Laage 1, 2 , Thomas Elsaesser 3 , James T Hynes 1, 2, 4
Affiliation  

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.

中文翻译:


生物分子水合壳中的水动力学



生物分子的结构和功能很大程度上受到其水合壳的影响。水合水分子的结构波动和分子激发涵盖了广泛的空间和时间范围,从单个水分子到更大的水池,从飞秒到微秒的时间尺度。理论和分子动力学模拟以及超快振动光谱学的最新进展使人们对水结构的波动、基本水运动、水合生物界面的电场以及振动弛豫和能量耗散过程有了新的、详细的了解。在这里,我们回顾了理论和实验的最新进展,重点关注水合 DNA、蛋白质和磷脂,并将水合壳与大量水的动力学进行比较。
更新日期:2017-03-01
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