Studying Davydov’s ODE model of wave motion in α-helix protein using exactly energy–momentum conserving discretizations for Hamiltonian systems

Brenton LeMesurier

Mathematics and Computers in Simulation (MATCOM), 2012, vol. 82, issue 7, 1239-1248

Abstract: Davydov’s modeling of long-range energetic pulse propagation in α-helix protein started with an exciton–phonon ODE system and proceeded to the integrable nonlinear Schrödinger (NLS) equation in the limit of both large pulse width relative to amino acid spacing and high characteristic speed of the “phonon” terms. Soliton solutions of NLS have then been used to propose a mechanism for coherent long-range propagation of energetic pulses in such proteins.

Keywords: Conservative time discretizations; Hamiltonian systems; Protein energetics; Nonlinear wave equations (search for similar items in EconPapers)
Date: 2012
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Persistent link: https://EconPapers.repec.org/RePEc:eee:matcom:v:82:y:2012:i:7:p:1239-1248

DOI: 10.1016/j.matcom.2010.11.017

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