Article ID Journal Published Year Pages File Type
5370725 Biophysical Chemistry 2016 16 Pages PDF
Abstract

•Non-linear DNA single strand model was discussed.•Quantum dynamics of a hole migration through DNA was investigated.•The conducting properties of sugar-phosphate backbone were described.•The reversible and irreversible dynamics of the hole was modeled.

A model predicting the behavior of a hole acting on the DNA strand was investigated. The hole-DNA interaction on the basis of a quantum-classical, non-linear DNA single strand model was described. The fact that a DNA molecule is formed by a furanose ring as its sugar, phosphate group and bases was taken into consideration. Based on the model, results were obtained for the probability of a hole location on the DNA base sequences, such as GTTGGG, GATGTGGG, GTTGTTGGG as well as on the sugar-phosphate groups mated with them.

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Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
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