AlloFinder: a strategy for allosteric modulator discovery and allosterome analyses.

ABSTRACT: Allostery tweaks innumerable biological processes and plays a fundamental role in human disease and drug discovery. Exploration of allostery has thus been regarded as a crucial requirement for research on biological mechanisms and the development of novel therapeutics. Here, based on our previously developed allosteric data and methods, we present an interactive platform called AlloFinder that identifies potential endogenous or exogenous allosteric modulators and their involvement in human allosterome. AlloFinder automatically amalgamates allosteric site identification, allosteric screening and allosteric scoring evaluation of modulator-protein complexes to identify allosteric modulators, followed by allosterome mapping analyses of predicted allosteric sites and modulators in human proteom

SUBMITTER: Huang M 

PROVIDER: S-EPMC6030990 | biostudies-literature | 2018 Jul

REPOSITORIES: biostudies-literature