夏目貴行

永田昇 arrow_blank.PNG 西川真
卒業年度2007年度
修得学位博士
 

在学時の研究テーマ

  • 分子シミュレーションによる新規バイオチップの提案

研究業績

国際学術雑誌に発表した論文

  1. "Density-functional calculations of hydrated structures and electronic properties for G–C and A–T base pairs",
    I. Komura, Y. Ishikawa, T. Tsukamoto, T. Natsume, N. Kurita,
    Journal of Molecular Structure: THEOCHEM, 2008, 862, 122–129.
  2. "Hybrid QM/MM calculations on the structure and electronic properties of hydrated RNA base pair",
    K. Dedachi, Y. Ishikawa, T. Nakatsu, T. Natsume, T. Tsukamoto, N. Kurita,
    Journal of Molecular Structure: THEOCHEM, 2008, 854, 70-75.
  3. "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",
    T. Tsukamoto, Y. Ishikawa, T. Natsume, K. Dedachi, N. Kurita,
    Chemical Physics Letters, 2007, 441, 136-142.
  4. "Charge transfer through single- and double-strand DNA: Simulations based on molecular dynamics and molecular orbital methods",
    K. Dedachi, T. Natsume, T. Nakatsu, S. Tanaka, Y. Ishikawa, N. Kurita,
    Chemical Physics Letters, 2007, 436, 244-251.
  5. "Hybridization energies of double strands composed of DNA, RNA, PNA and LNA",
    T. Natsume, Y. Ishikawa, K. Dedachi, T. Tsukamoto, N. Kurita,
    Chemical Physics Letters, 2007, 434, 133-138.
  6. "Electronic properties of solvated duplex DNAs by DFT calculations",
    T. Tsukamoto, Y. Ishikawa, M. J. Vilkas, T. Natsumea, K. Dedachi, N. Kurita,
    Lecture Series on Computer and Computational Sciences, 2007, 7, 1022-1025.
  7. "Density-functional theoretical study on hydrated DNA duplex: Effect of hydrating water molecules on HOMO distribution in DNA",
    T. Tsukamoto, Y. Ishikawa, M.J. Vilkas, T. Natsume, K. Dedachi, N. Kurita,
    Chemical Physics Letters, 2006, 429, 563-569.
  8. "Berberine alkaloid: Quantum chemical study of different forms by the DFT and MP2 methods",
    V.I. Danilov, V.V. Dailidonis, D.M. Hovorun, N. Kurita, Y. Murayama, T. Natsume, A.I. Potopalsky, L.A. Zaika,
    Chemical Physics Letters, 2006, 430, 409-413.
  9. "A DFT study on the electronic properties of DNA-DNA and PNA-DNA Double Strands",
    T. Natsume, Y. Ishikawa, K. Dedachi, T. Tsukamoto, N. Kurita,
    International Journal of Quantum Chemistry, 2006, 106, 3278-3287.
  10. "Density functional molecular orbital calculations on DNA-DNA, PNA-DNA and PNA-PNA double strands",
    T. Natsume, Y. Ishikawa, K. Dedachi, N. Kurita,
    Proceedings of the International Symposium on Frontiers of Computational Science 2005, 2006, 299-303.
  11. "Charge transfer in single- and double-strand DNAs: theoretical analysis based on molecular orbital method",
    K. Dedachi, Y. Ishikawa, T. Natsume, T. Nakatsu, N. Kurita,
    International Journal of Quantum Chemistry, 2006, 106, 3270-3277.
  12. "Density-functional calculations on DNA-DNA, PNA-DNA and PNA-PNA double strands"
    T. Natsume, Y. Ishikawa, K. Dedachi, N. Kurita,
    Chemical Physics Letters, 2006, 418, 239-244.
  13. "Investigation of a Kubo-formula-based approach to estimate DNA conductance in an atomistic model",
    E. Starikov, S. Tanaka, N. Kurita, Y. Sengoku, T. Natsume, W. Wenzel,
    The European Physical Journal E, 2005, 18, 437-445.
  14. "Charge transfer through double-strand DNA and its base-mismatched ones: theoretical analysis based on semiempirical molecular orbital calculations",
    T. Natsume, K. Dedachi, S. Tanaka, T. Higuchi, N. Kurita,
    Chemical Physics Letters, 2005, 408, 381-388.

国内の学術雑誌に発表した論文

  1. "細胞シミュレーションによる癌浸潤機構の解析",
    永瀬圭良, 小林浩, 永田昇, 山本史雄, 夏目貴行, 出立兼一, 塚本貴志, 栗田典之
    J. Comput. Aided Chem., 2007, 8, 75-84.
  2. "密度汎関数法による水和したDNAの電子状態解析: DNA副溝内の水和水がHOMOに与える影響",
    塚本貴志, Y. Ishikawa, 夏目貴行, 出立兼一, M.J. Vilkas, 栗田典之,
    J. Comput. Aided Chem., 2006, 7, 203-213.
  3. "DNA転写活性タンパク質CAPと環状AMPの特異的相互作用の解析:分子力場及び分子軌道計算",
    中村春彦, 薄木 亮, 夏目貴行, 栗田典之,
    J. Comput. Aided Chem., 2005, 6, 67-82.
  4. "1重鎖及び2重鎖DNAの電流電圧特性の理論的解析",
    出立兼一, 夏目貴行, 田中成典, 樋口高年, 栗田典之,
    J. Comput. Aided Chem., 2004, 5, 52-61.
  5. "ミスマッチのあるDNA二重鎖の電子状態計算",
    夏目貴行, 仙石康雄, 栗田典之,
    J. Comput. Aided Chem., 2003, 4, 42-51.

国際学会における発表

  1. "Effect of base mismatch on the electronic properties of DNA-DNA and LNA-DNA double-strands by DFT calculations",
    T. Natsume, Y. Ishikawa, K. dedachi, T. Tsukamoto, N. Kurita,
    The 12th International Conference on the Applications of Density Functional Theory in Chemistry and Physics, 2007, Aug. 26-30, Amsterdam, The Netherlands.
  2. "Electronic properties of DNA-DNA and PNA-DNA by DFT Method with Gaussian and Numerical Basis-sets,"
    T. Natsume, Y. Ishikawa, K. Dedachi, T. Tsukamoto, N. Kurita
    The XIIth International Congress of Quantum Chemistry, 2006, May 21-26, Kyoto, Japan.
  3. "Electronic Properties of DNA-DNA, PNA-DNA and PNA-PNA Double Strands by DFT Calculations,"
    T. Natsume, Y. Ishikawa, K. Dedachi, N. Kurita,
    2006 Sanibel Symposium, 2006, Feb. 25- March 2, Georgia, U.S.A.
  4. "Density Functional Molecular Orbital Calculations on DNA-DNA, PNA-DNA and PNA-PNA Double Strands,"
    T. Natsume, Y. Ishikawa, K. Dedachi, N. Kurita,
    International Symposium on Frontiers of Computational Science 2005, 2005, December 12-13, Nagoya, Japan.
  5. "Semiempirical Molecular Orbital Calculations for Double-strand DNA and its Base-mismatched Ones,"
    T. Natsume, K. Dedachi, Y. Sengoku, S. Tanaka, N. Kurita,
    The 1st Asian Pacific Conference on Theoretical & Computational Chemistry, 2004, May 12-15, Okazaki, Japan.

国内学会における発表

  1. "密度汎関数によるミスマッチのあるLNA-DNA 二重鎖の電子状態解析",
    夏目貴行, Y. Ishikawa, 出立兼一, 塚本貴志, 栗田典之,
    第10回理論化学討論会, 2007, 愛知県.
  2. "密度汎関数法によるDNA 類似核酸から成る二重鎖の電子状態解析",
    夏目貴行, Y. Ishikawa, 出立兼一, 塚本貴志, 栗田典之,
    分子構造総合討論会2006, 2006, 静岡県.
  3. "DNA-DNA, PNA-DNA, PNA-PNA二重鎖の電子状態解析",
    夏目貴行,石川泰丁,出立兼一,中津泰輔,栗田 典之,
    第19回分子シミュレーション討論会, 2005, 愛知県.
  4. "ミスマッチのあるDNA二重鎖の電子状態と電流電圧特性の解析",
    夏目貴行, 出立兼一, 田中成典, 栗田典之,
    分子構造総合討論会2004, 2004, 広島県.
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