Biophysical and computational methods to analyze amino acid interaction networks in proteins.
Biophysical and computational methods to analyze amino acid interaction networks in proteins.
复制标题
DOI：
10.1016/j.csbj.2016.06.002
复制
发表时间：
2016
影响因子：
6
通讯作者：
Boehr DD
中科院分区：
文献类型：
--
作者：
O'Rourke KF;Gorman SD;Boehr DD
球状蛋白质通过氨基酸残基的相互作用网络结合在一起。已经开发了许多不同的结构和计算方法来询问这些氨基酸网络。在这篇综述中，我们描述了其中的一些方法，包括x射线晶体学数据和结构分析、计算机模拟、核磁共振数据和蛋白质序列之间的共变，并指出这些方法为蛋白质功能提供了重要的见解。这些信息可以用于设计新的变构药物，以及新的蛋白质功能和蛋白质调节策略的工程。
Globular proteins are held together by interacting networks of amino acid residues. A number of different structural and computational methods have been developed to interrogate these amino acid networks. In this review, we describe some of these methods, including analyses of X-ray crystallographic data and structures, computer simulations, NMR data, and covariation among protein sequences, and indicate the critical insights that such methods provide into protein function. This information can be leveraged towards the design of new allosteric drugs, and the engineering of new protein function and protein regulation strategies.