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

被引：20

作者：

Starikov, EB ^{[1
]}

Tanaka, S

Kurita, N

Sengoku, Y

Natsume, T

Wenzel, W

机构：

[1] Res Ctr Karlsruhe, Inst Nanotechnol, D-76021 Karlsruhe, Germany

[2] Kobe Univ, Grad Sch Sci & Technol, Kobe, Hyogo 6578501, Japan

[3] Toyohashi Univ Technol, Dept Knowledge Based Informat Engn, Toyohashi, Aichi 4418580, Japan

来源：

EUROPEAN PHYSICAL JOURNAL E | 2005年 / 18卷 / 04期

关键词：

D O I：

10.1140/epje/e2005-00047-4

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

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.

引用

页码：437 / 445

页数：9

共 35 条

[1] Environment and structure influence on DNA conduction [J].

Adessi, C ;

Walch, S ;

Anantram, MP .

PHYSICAL REVIEW B, 2003, 67 (08)

[2] Energetic control and kinetics of hole migration in DNA [J].

Bixon, M ;

Jortner, J .

JOURNAL OF PHYSICAL CHEMISTRY B, 2000, 104 (16) :3906-3913

[3] Metal-insulator transition in chains with correlated disorder (Retraction of vol 418, pg 955, 2002) [J].

Carpena, P ;

Bernaola-Galván, P ;

Ivanov, PC ;

Stanley, HE .

NATURE, 2003, 421 (6924) :764-764

[4] RETRACTED: Metal-insulator transition in chains with correlated disorder (Retracted Article. See vol 421, pg 764, 2003) [J].

Carpena, P ;

Bernaola-Galván, P ;

Ivanov, PC ;

Stanley, HE .

NATURE, 2002, 418 (6901) :955-959

[5] A 2ND GENERATION FORCE-FIELD FOR THE SIMULATION OF PROTEINS, NUCLEIC-ACIDS, AND ORGANIC-MOLECULES [J].

CORNELL, WD ;

CIEPLAK, P ;

BAYLY, CI ;

GOULD, IR ;

MERZ, KM ;

FERGUSON, DM ;

SPELLMEYER, DC ;

FOX, T ;

CALDWELL, JW ;

KOLLMAN, PA .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1995, 117 (19) :5179-5197

[6] Towards a theory of electrical transport through atomic and molecular junctions [J].

Cuevas, JC ;

Heurich, J ;

Pauly, F ;

Wenzel, W ;

Schön, G .

PHASE TRANSITIONS, 2004, 77 (1-2) :175-189

[7] CONDUCTANCE OF A DISORDERED LINEAR-CHAIN INCLUDING INELASTIC-SCATTERING EVENTS [J].

DAMATO, JL ;

PASTAWSKI, HM .

PHYSICAL REVIEW B, 1990, 41 (11) :7411-7420

[8]

Datta S., 1997, ELECT TRANSPORT MESO

[9] Embedding method for conductance of DNA [J].

Davies, OR ;

Inglesfield, JE .

PHYSICAL REVIEW B, 2004, 69 (19) :195110-1

[10] Electronic structure and conductance of large molecules and DNA [J].

Davies, OR ;

Inglesfield, JE .

PROGRESS IN SURFACE SCIENCE, 2003, 74 (1-8) :161-176

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