A new approach to microscopic modeling of a hole transfer in heteropolymer DNA

Abstract

Thermal oscillations of base pairs in the Peyrard-Bishop-Holstein model are simulated by stochastic fluctuations of base overlap integrals. Numerical investigation of the model is carried out for a hole transfer in $G_1A_2G_3G_4$ sequence which was previously studied experimentally by F. Lewis et al. A hole migration between $G_1$ and $G_3G_4$ is determined by the matrix elements of the charge transition, but presence and amplitude of their stochastic fluctuations proved to play a key role in reproduction of the experimental kinetics. Good agreement with the experimental data was obtained for a wide range of the model parameters' combinations.