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On the quantum dynamics of Davydov solitons in protein α-helices

Author

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  • Georgiev, Danko D.
  • Glazebrook, James F.

Abstract

The transport of energy inside protein α-helices is studied by deriving a system of quantum equations of motion from the Davydov Hamiltonian with the use of the Schrödinger equation and the generalized Ehrenfest theorem. Numerically solving the system of quantum equations of motion for different initial distributions of the amide I energy over the peptide groups confirmed the generation of both moving or stationary Davydov solitons. In this simulation the soliton generation, propagation, and stability were found to be dependent on the symmetry of the exciton–phonon interaction Hamiltonian and the initial site of application of the exciton energy.

Suggested Citation

  • Georgiev, Danko D. & Glazebrook, James F., 2019. "On the quantum dynamics of Davydov solitons in protein α-helices," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 517(C), pages 257-269.
    • Handle: RePEc:eee:phsmap:v:517:y:2019:i:c:p:257-269
    DOI: 10.1016/j.physa.2018.11.026
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    References listed on IDEAS

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    1. Jingxi Luo & Bernard M. A. G. Piette, 2017. "A generalised Davydov-Scott model for polarons in linear peptide chains," The European Physical Journal B: Condensed Matter and Complex Systems, Springer;EDP Sciences, vol. 90(8), pages 1-21, August.
    2. Daniel, M. & Latha, M.M., 2001. "A generalized Davydov soliton model for energy transfer in alpha helical proteins," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 298(3), pages 351-370.
    3. LeMesurier, Brenton, 2012. "Studying Davydov’s ODE model of wave motion in α-helix protein using exactly energy–momentum conserving discretizations for Hamiltonian systems," Mathematics and Computers in Simulation (MATCOM), Elsevier, vol. 82(7), pages 1239-1248.
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    Cited by:

    1. Georgiev, Danko D. & Glazebrook, James F., 2019. "Quantum tunneling of Davydov solitons through massive barriers," Chaos, Solitons & Fractals, Elsevier, vol. 123(C), pages 275-293.
    2. Georgiev, Danko D. & Glazebrook, James F., 2022. "Thermal stability of solitons in protein α-helices," Chaos, Solitons & Fractals, Elsevier, vol. 155(C).
    3. Yassine Benia & Marianna Ruggieri & Andrea Scapellato, 2019. "Exact Solutions for a Modified Schrödinger Equation," Mathematics, MDPI, vol. 7(10), pages 1-9, September.

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