RELATION BETWEEN KINETIC CONVERSION RATES AND ANM MODE FREQUENCIES

摘要

Elastic Network Models (ENMs) are informative, fast and largely used techniques for the elucidation of the intrinsic motions of the proteins. ENM normal modes resemble the conformational changes in the ligand-free states of the proteins. According to pre-existing equilibrium model the native state of the protein forms an ensemble of substates and ligand simply selects and shifts the population dynamics of the ensemble. In this study, we investigated the relation between normal mode frequencies and kinetic conversion rates of ensemble substates between each other.