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Biophysical and computational methods to analyze amino acid interaction networks in proteins

Author:
O'Rourke, Kathleen F., Gorman, Scott D., Boehr, David D.
Source:
Computational and Structural Biotechnology Journal 2016 v.14 pp. 245-251
ISSN:
2001-0370
Subject:
X-ray diffraction, amino acid sequences, amino acids, biotechnology, computer simulation, drugs, engineering, nuclear magnetic resonance spectroscopy, proteins
Abstract:
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.
Agid:
5281739