REDAN: Relative Entropy-Based Dynamical Allosteric Network Model.

ABSTRACT: Protein allostery is ubiquitous phenomena that are important for cellular signaling processes. Despite extensive methodology development, a quantitative model is still needed to accurately measure protein allosteric response upon external perturbation. Here, we introduced the relative entropy concept from information theory as a quantitative metric to develop a method for measurement of the population shift with regard to protein structure during allosteric transition. This method is referred to as relative entropy-based dynamical allosteric network (REDAN) model. Using this method, protein allostery could be evaluated at three mutually dependent structural levels: allosteric residues, allosteric pathways, and allosteric communities. All three levels are carried out using rigorous searchin

SUBMITTER: Zhou H 

PROVIDER: S-EPMC6660174 | biostudies-literature | 2019

REPOSITORIES: biostudies-literature