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Local electronic structure in the Peyrard–Bishop–Holstein model

Jian-Xin Zhu, K Ø Rasmussen, A V Balatsky and A R Bishop

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There is increasing evidence for polaronic effects on charge localization and dynamics in DNA. The Peyrard–Bishop–Holstein model has been previously suggested as an appropriate model for the description of such effects. Here we report a self-consistent study of local electronic structure within this model for both homopolymer and realistic viral P5 promoter segments. Our results indicate that both the inter-base-pair stacking interaction and the electron filling can qualitatively influence the polaronic properties in a specific DNA sequence, including features of two distinct length scales and competition with sequence-disorder induced localization.


PACS

87.14.G- Nucleic acids

87.15.Cc Folding: thermodynamics, statistical mechanics, models, and pathways

87.15.A- Theory, modeling, and computer simulation

87.15.K- Molecular interactions; membrane-protein interactions

87.15.B- Structure of biomolecules

Subjects

Biological physics

Dates

Issue 13 (4 April 2007)

Received 12 January 2007, in final form 8 February 2007

Published 12 March 2007



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