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- W4311169655 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." @default.
- W4311169655 created "2022-12-24" @default.
- W4311169655 creator A5038695961 @default.
- W4311169655 date "2022-12-01" @default.
- W4311169655 modified "2023-09-24" @default.
- W4311169655 title "Knowns and unknowns in the Davydov model for energy transfer in proteins" @default.
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- W4311169655 doi "https://doi.org/10.1063/10.0015107" @default.
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