Breather-mediated energy transfer in proteins

Francesco Piazza; Yves-Henri Sanejouand

doi:10.3934/dcdss.2011.4.1247

Article Contents

2011, Volume 4, Issue 5: 1247-1266. Doi: 10.3934/dcdss.2011.4.1247

This issue Previous Article Continuation and bifurcations of breathers in a finite discrete NLS equation Next Article Persistent mobile lattice excitations in a crystalline insulator

Breather-mediated energy transfer in proteins

Francesco Piazza^1, and
Yves-Henri Sanejouand^2,

1.
Centre de Biophysique Moleculaire (CBM-CNRS), University of Orleans, Rue Charles Sadron, 45071 Orleans
2.
Laboratoire Biotechnologie, Biocatalyse et Biorégulation, UMR 6204 du CNRS, Faculté des Sciences et des Techniques, 2, rue de la Houssinière, 44322 Nantes Cedex 3

Received: September 2009

Revised: December 2009

Published: October 2011

Abstract / Introduction Related Papers Cited by

Abstract

In this paper we investigate how energy is redistributed across protein structures, following localized kicks, within the framework of a nonlinear network model. We show that energy is directed most of the times to a few specific sites, systematically within the stiffest regions. This effect is sharpened as the energy of the kicks is increased, with fractions of transferred energy as high as 70% already for kicks above $20$ kcal/mol. Remarkably, we show that such site-selective, high-yield transfers mark the spontaneous formation of spatially localized, time-periodic vibrations at the target sites, acting as efficient energy-collecting centers. A comparison of our simulations with a previously developed theory reveals that such energy-pinning modes are discrete breathers, able to carry energy across the structure in an quasi-coherent fashion by jumping from site to site.

Keywords:

Mathematics Subject Classification: Primary: 70-XX, 37-XX, 92-XX; Secondary: 70K75, 34C15, 37N25, 92C40.

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