Response of the electric conductivity of double-stranded DNA on moderate mechanical stretching stresses

The response of charge transport in double-stranded DNA to mechanical pulling has been studied with a multiscale computational method using classical molecular dynamics simulation, approximative density-functional theory calculations and the Landauer-Buttiker theory. The effect depends on the exact...

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Veröffentlicht in:Physical review. B, Condensed matter and materials physics Condensed matter and materials physics, 2012-02, Vol.85 (7), Article 075101
Hauptverfasser: Wolter, Mario, Woiczikowski, P Benjamin, Elstner, Marcus, Kubar, Tomas
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Sprache:eng
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Zusammenfassung:The response of charge transport in double-stranded DNA to mechanical pulling has been studied with a multiscale computational method using classical molecular dynamics simulation, approximative density-functional theory calculations and the Landauer-Buttiker theory. The effect depends on the exact nucleobase sequence notably, and this is explained in terms of structural changes of DNA upon stretching. The results of recent single-molecule experiments are interpreted on the basis of current results. Further, recommendations for the design of DNA sequences for nanoelectronic applications are formulated.
ISSN:1098-0121
1550-235X
DOI:10.1103/physrevb.85.075101