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

被引:19
作者
Wolter, Mario [1 ]
Woiczikowski, P. Benjamin [1 ]
Elstner, Marcus [1 ]
Kubar, Tomas [1 ]
机构
[1] Karlsruhe Inst Technol, Inst Phys Chem, DE-76131 Karlsruhe, Germany
关键词
MOLECULAR-DYNAMICS SIMULATION; B-DNA; CHARGE-TRANSPORT; NUCLEIC-ACIDS; FORCE-FIELD; CONSISTENT; DODECAMER; EFFICIENT; ENERGY;
D O I
10.1103/PhysRevB.85.075101
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
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.
引用
收藏
页数:7
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