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Takayuki Natsume

Toyohashi University of Technology

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Publication

Featured researches published by Takayuki Natsume.

Modern Methods for Theoretical Physical Chemistry of Biopolymers | 2006

Ballistic conductance for all-atom models of native and chemically modified DNA: a review of a Kubo-formula-based approach

Ewgeni B. Starikov; Shigenori Tanaka; Noriyuki Kurita; Yasuo Sengoku; Takayuki Natsume; Aina Quintilla; Wolfgang Wenzel

A novel approach to estimate DNA conductance based upon the 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 can be investigated. 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.

Chemical Physics Letters | 2007

Hybridization energies of double strands composed of DNA, RNA, PNA and LNA

Takayuki Natsume; Yasuyuki Ishikawa; Kenichi Dedachi; Takayuki Tsukamoto; Noriyuki Kurita

Chemical Physics Letters | 2007

A combined molecular dynamics/density-functional theoretical study on the structure and electronic properties of hydrating water molecules in the minor groove of decameric DNA duplex.

Takayuki Tsukamoto; Yasuyuki Ishikawa; Takayuki Natsume; Kenichi Dedachi; Noriyuki Kurita

European Physical Journal E | 2005

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

Evgeni B. Starikov; Shigenori Tanaka; Noriyuki Kurita; Yasuo Sengoku; Takayuki Natsume; Wolfgang Wenzel

Chemical Physics Letters | 2006

Density-functional theoretical study on hydrated DNA duplex: Effect of hydrating water molecules on HOMO distribution in DNA

Takayuki Tsukamoto; Yasuyuki Ishikawa; Marius J. Vilkas; Takayuki Natsume; Kenichi Dedachi; Noriyuki Kurita

Chemical Physics Letters | 2007

Charge transfer through single- and double-strand DNAs: Simulations based on molecular dynamics and molecular orbital methods

Kenichi Dedachi; Takayuki Natsume; Taisuke Nakatsu; Shigenori Tanaka; Yasuyuki Ishikawa; Noriyuki Kurita

Chemical Physics Letters | 2005

Charge transfer through double-strand DNA and its base-mismatched ones: Theoretical analysis based on semiempirical molecular orbital calculations

Takayuki Natsume; Kenichi Dedachi; Shigenori Tanaka; Takatoshi Higuchi; Noriyuki Kurita

International Journal of Quantum Chemistry | 2006

DFT study of the electronic properties of DNA–DNA and PNA–DNA double strands

Takayuki Natsume; Yasuyuki Ishikawa; Kenichi Dedachi; Takayuki Tsukamoto; Noriyuki Kurita

Chemical Physics Letters | 2007

Effect of base mismatch on the electronic properties of DNA-DNA and LNA-DNA double strands: Density-functional theoretical calculations.

Takayuki Natsume; Yasuyuki Ishikawa; Kenichi Dedachi; Takayuki Tsukamoto; Noriyuki Kurita

Journal of Molecular Structure-theochem | 2008

Density-functional calculations of hydrated structures and electronic properties for G–C and A–T base pairs

Ikuyo Komura; Yasuyuki Ishikawa; Takayuki Tsukamoto; Takayuki Natsume; Noriyuki Kurita

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Collaboration

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Noriyuki Kurita

Toyohashi University of Technology

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Kenichi Dedachi

Toyohashi University of Technology

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Yasuyuki Ishikawa

University of Puerto Rico

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Takayuki Tsukamoto

Toyohashi University of Technology

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Shigenori Tanaka

Kobe University

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Taisuke Nakatsu

Toyohashi University of Technology

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Yasuo Sengoku

Toyohashi University of Technology

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Takatoshi Higuchi

Mizuho Information

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Marius J. Vilkas

University of Puerto Rico

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Wolfgang Wenzel

Karlsruhe Institute of Technology

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