Discrete breathers in nonlinear network models of proteins

TL;DR

This paper presents a nonlinear network model of proteins showing that energy localization occurs spontaneously in stiff regions, potentially influencing enzyme activity through nonlinear energy storage mechanisms.

Contribution

It introduces a topology-based nonlinear model revealing how energy localizes in proteins, linking local stiffness to enzymatic function and highlighting the role of nonlinearity in enzyme dynamics.

Findings

Localized modes form spontaneously in stiff regions

Energy localization correlates with enzyme activity

Nonlinear phenomena may facilitate energy storage in enzymes

Abstract

We introduce a topology-based nonlinear network model of protein dynamics with the aim of investigating the interplay of spatial disorder and nonlinearity. We show that spontaneous localization of energy occurs generically and is a site-dependent process. Localized modes of nonlinear origin form spontaneously in the stiffest parts of the structure and display site-dependent activation energies. Our results provide a straightforward way for understanding the recently discovered link between protein local stiffness and enzymatic activity. They strongly suggest that nonlinear phenomena may play an important role in enzyme function, allowing for energy storage during the catalytic process.