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KIAM Preprint № 231, Moscow, 2018
Authors: Korshunova A.N., Lakhno V.D.
Rapid formation of a moving polaron state in a homogeneous molecular polynucleotide chain of finite length
The numerical experiments which demonstrate the possibility of charge transfer in a homogeneous G/C DNA chain in the absence of an electric field have been carried out. As a model, which describes the dynamics of a DNA molecule, was considered the nonlinear Peyrard-Bishop-Dauxois-Holstein model. The motion of the charge in the chain is due to the choice of the initial conditions, which ensure the rapid formation of the polaron state and, as a consequence, charge transfer along the chain. It is shown that, depending on the parameters of the chain and on the parameters of the selected initial conditions, the charge can be transferred along the chain over long distances.
nanobioelectronics, nanowire, molecular chain, polaron, DNA, charge transfer, Peyrard-Bishop-Dauxois-Holstein model
Publication language: russian, pages: 22
Research direction:
Mathematical modelling in actual problems of science and technics
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