Knowns and unknowns in the Davydov model for energy transfer in proteins

Abstract

The Davydov model for amide I propagation in hydrogen-bonded chains of proteins is revisited. The many similarities between the mixed quantum-classical dynamical equations and those that are derived from the full quantum Davydov model while applying the so-called D2 ansatz are highlighted. The transition from a minimum energy localized amide I state to a fully delocalized state is shown to operate in four phases, one of which is abrupt and the last of which is a fast but smooth change from a very broad yet localized state to a completely delocalized one. Exploration of the dynamical phase space at zero temperature includes the well-known soliton propagation as well as double and triple discrete breathers, and dispersion of initially localized states. The uncertainties related to the question of the thermal stability of the Davydov soliton are illustrated. A solution to the seemingly endless problem of the short radiative lifetime of the amide I excitations is proposed.

Dipole–Monopole Crossover and Chargeless Half-Mode in an Integrable Exciton–Phonon Nonlinear Dynamical System on a Regular One-Dimensional Lattice

“…The study of nonlinear excited states in the coupled electron-phonon or exciton-phonon systems has a long and celebrated history [1][2][3][4][5][6][7][8][9][10][11][12][13]. From the physical standpoint, such systems are important as the generants of soliton-like nonlinear waves [6-8, 11, 12] C i t a t i o n: Vakhnenko O.O.…”