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 \(G_1A_2G_3G_4\) sequence which was previously studied experimentally by F. Lewis et...

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Bibliographic Details
Published in:arXiv.org 2013-03
Main Authors: Shigaev, A S, Ponomarev, O A, Lakhno, V D
Format: Article
Language:English
Subjects:
Computer simulation
Deoxyribonucleic acid
DNA
Mathematical models
Migration
Thermal oscillations
Variations
Online Access:Get full text
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Summary: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.
ISSN:2331-8422
DOI:10.48550/arxiv.1303.6278