文章基本信息

标题：Biophysical and computational methods to analyze amino acid interaction networks in proteins
本地全文：下载
作者：Kathleen F. O'Rourke ; Scott D. Gorman ; David D. Boehr 等
期刊名称：Computational and Structural Biotechnology Journal
印刷版ISSN：2001-0370
出版年度：2016
卷号：14
页码：245-251
DOI：10.1016/j.csbj.2016.06.002
语种：
出版社：Computational and Structural Biotechnology Journal
摘要：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.
关键词：Amino acid interaction network ; Allostery ; Graph theory ; CONTACT ; Molecular dynamics ; Elastic network ; NMR ; Coevolution ; Statistical coupling analysis