title: Investigation of a Kubo-formula-based approach to estimate DNA conductance in an atomistic model.
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.
authors.affiliation: Research Center Karlsruhe, Institute for Nanotechnology, 76021 Karlsruhe, Germany. starikow@chemie.fu-berlin.de
authors.forename: E B
authors.initials: EB
authors.lastname: Starikov
authors.forename: S
authors.initials: S
authors.lastname: Tanaka
authors.forename: N
authors.initials: N
authors.lastname: Kurita
authors.forename: Y
authors.initials: Y
authors.lastname: Sengoku
authors.forename: T
authors.initials: T
authors.lastname: Natsume
authors.forename: W
authors.initials: W
authors.lastname: Wenzel
mesh_terms: D020137:Base Pair Mismatch / Q000235:genetics; D001703:Biophysics / Q000379:methods*; D004247:DNA / Q000737:chemistry*; D004553:Electric Conductivity; D008954:Models, Biological; D009690:Nucleic Acid Conformation; D009841:Oligonucleotides / Q000737:chemistry; D013816:Thermodynamics
chemical_list: D009841:Oligonucleotides; D004247:DNA