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

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 G1A2G3G4 sequence which was previously studied experimentally by Lewis et al. A hole migration between G1 and G3G4 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.