Data-driven computational analysis of allosteric proteins by exploring protein dynamics, residue coevolution and residue interaction networks

• Published in: Biochimica et biophysica acta. General subjects
• Main Authors: Astl, Lindy, Verkhivker, Gennady M.
• Format: Journal Article
• Language: English
• Published: Netherlands Elsevier B.V 19.07.2019
• Subjects: Allosteric modulators; Allosteric proteins; case studies; coevolution; Coevolutionary networks; combination drug therapy; Functional dynamics; Protein kinases; protein structure; proteins; Residue coevolution; Residue interaction networks; signal transduction; Allosteric modulators; Allosteric proteins; Coevolutionary networks; Functional dynamics; Residue coevolution; Protein kinases; Residue interaction networks

Computational studies of allosteric interactions have witnessed a recent renaissance fueled by the growing interest in modeling of the complex molecular assemblies and biological networks. Allosteric interactions in protein structures allow for molecular communication in signal transduction networks...