肌红蛋白周围水的结构与动力学
Structure and dynamics of the water around myoglobin.
作者信息
Phillips G N, Pettitt B M
机构信息
W.M. Keck Center for Computational Biology, Houston, Texas 77005-1892, USA.
出版信息
Protein Sci. 1995 Feb;4(2):149-58. doi: 10.1002/pro.5560040202.
Abstract
The interplay between simulations at various levels of hydration and experimental observables has led to a picture of the role of solvent in thermodynamics and dynamics of protein systems. One of the most studied protein-solvent systems is myoglobin, which serves as a paradigm for the development of structure-function relationships in many biophysical studies. We review here some aspects of the solvation of myoglobin and the resulting implications. In particular, recent theoretical and simulation studies unify much of the diverse set of experimental results on water near proteins.
摘要
不同水合水平下的模拟与实验观测值之间的相互作用，形成了一幅关于溶剂在蛋白质系统热力学和动力学中作用的图景。研究最多的蛋白质 - 溶剂系统之一是肌红蛋白，在许多生物物理研究中，它是建立结构 - 功能关系的范例。我们在此回顾肌红蛋白溶剂化的一些方面及其产生的影响。特别是，最近的理论和模拟研究统一了关于蛋白质附近水的大量不同实验结果。
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