Investigation of a Kubo-formula-based approach to estimate DNA conductance in an atomistic model期刊界 All Journals 搜尽天下杂志传播学术成果专业期刊搜索期刊信息化学术搜索

Investigation of a Kubo-formula-based approach to estimate DNA conductance in an atomistic model

Authors:	E. B.?Starikov author-information" > author-information__contact u-icon-before" > mailto:starikow@chemie.fu-berlin.de" title=" starikow@chemie.fu-berlin.de" itemprop=" email" data-track=" click" data-track-action=" Email author" data-track-label=" " >Email author,S.?Tanaka,N.?Kurita,Y.?Sengoku,T.?Natsume,W.?Wenzel

Affiliation:	(1) Research Center Karlsruhe, Institute for Nanotechnology, 76021 Karlsruhe, Germany;(2) Graduate School of Science and Technology, Kobe University, 1-1 Rokkodai, Nada, Kobe 657-8501, Japan;(3) Department of Knowledge-Based Information Engineering, Toyohashi University of Technology, Toyohashi, Aichi 441-8580, Japan

Abstract:	A novel approach to estimate DNA conductance based upon Kubo formula is presented and discussed. Using this approach, the effects of base pair mismatches, different conformational changes and base pair sequence on DNA electrical properties were investigated. The results were compared with the data from other methods. The new approach makes possible very fast estimation of conductance spectra for oligonucleotides with hundreds of base pairs and can easily be extended to treat arbitrary chemical modifications of DNA.

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