화학공학소재연구정보센터
Chemical Physics Letters, Vol.513, No.4-6, 276-279, 2011
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 G(1)A(2)G(3)G(4) sequence which was previously studied experimentally by Lewis et al. A hole migration between G(1) and G(3)G(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. (C) 2011 Elsevier B.V. All rights reserved.