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2008 Fiscal Year Final Research Report

QM/MM study on the oxygen active species in metalloenzymes

Research Project

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Project/Area Number 18750048
Research Category

Grant-in-Aid for Young Scientists (B)

Allocation TypeSingle-year Grants
Research Field Inorganic chemistry
Research InstitutionKyushu University

Principal Investigator

KAMACHI Takashi  Kyushu University, 先導物質化学研究所, 学術研究員 (40403951)

Project Period (FY) 2006 – 2008
Keywords量子化学 / 酵素反応 / 遷移状態
Research Abstract

本研究では量子化学計算を用いて、金属酵素活性種が有する特殊な電子状態や反応性を解析した。特にQM/MM法を用いた計算から、酵素全体の影響を考慮したより現実に近い検討を行った。これらの成果により、これまで9報が学術論文誌に掲載された。また、国内外の学会で積極的に発表を行い高い評価を得た。

  • Research Products

    (21 results)

All 2009 2008 2007 2006 Other

All Journal Article (9 results) (of which Peer Reviewed: 9 results) Presentation (12 results)

  • [Journal Article] Bulletin of the Chemical Society of Japan2008

    • Author(s)
      T. Kamachi, T. Nakayama, K. Yoshizawa
    • Journal Title

      BCSJ Award Article 81

      Pages: 1212

    • Peer Reviewed
  • [Journal Article] The Journal of Physical Chemistry C2008

    • Author(s)
      A. Staykov, T. Kamachi, T. Ishihara, K. Yoshizawa
    • Journal Title

      112

      Pages: 19501

    • Peer Reviewed
  • [Journal Article] The Journal of Physical Chemistry A2008

    • Author(s)
      T. Kamachi, Y.-M. Lee, T. Nishimi, J. Cho, K. Yoshizawa, W. Nam
    • Journal Title

      112

      Pages: 13102

    • Peer Reviewed
  • [Journal Article] Angewandete Chemie International Edition2007

    • Author(s)
      P. M. Kozlowski, T. Kamachi, T. Toraya, K. Yoshizawa
    • Journal Title

      46

      Pages: 980

    • Peer Reviewed
  • [Journal Article] Angewandete Chemie International Edition2007

    • Author(s)
      M. S. Seo, T. Kamachi, T. Kouno, K. Murata, M. J. Park, K. Yoshizawa, W. Nam
    • Journal Title

      46

      Pages: 2291

    • Peer Reviewed
  • [Journal Article] The Journal of Physical Chemistry A2007

    • Author(s)
      K. Yoshizawa, T. Nakayama, T. Kamachi, P. M. Kozlowski
    • Journal Title

      111

      Pages: 852

    • Peer Reviewed
  • [Journal Article] Chemistry - A European Journal2007

    • Author(s)
      T. Kamachi, T. Toraya, K. Yoshizawa
    • Journal Title

      13

      Pages: 7864

    • Peer Reviewed
  • [Journal Article] The Journal of Physical Chemistry B

    • Author(s)
      T. Kamachi, M. Takahata, T. Toraya, K. Yoshizawa
    • Journal Title

      Journal Cover (in press)

    • Peer Reviewed
  • [Journal Article] Chemistry - A European Journal

    • Author(s)
      T. Kamachi, T. Nakayama, O. Shitamichi, K. Jitsumori,T. Kurihara, N. Esaki, K. Yoshizawa
    • Journal Title

      (in press)

    • Peer Reviewed
  • [Presentation] ビタミンB12依存型酵素の反応性に関する理論的研究2009

    • Author(s)
      蒲池高志、Kozlowski Pawel、虎谷哲夫、吉澤一成
    • Organizer
      日本化学会第89春季年会
    • Place of Presentation
      船橋
    • Year and Date
      2009-03-27
  • [Presentation] Theoretical Study on the Mechanism of Catalysis of Coenzyme B12-Dependent Glutamate Mutase2008

    • Author(s)
      T. Kamachi, P. M. Kozlowski, T. Toraya, K. Yoshizawa
    • Organizer
      Asian Biological Inorganic Chemistry Conference 4th
    • Place of Presentation
      Jeju
    • Year and Date
      2008-11-10
  • [Presentation] ビタミンB12依存型酵素の反応機構に関する理論的研究2008

    • Author(s)
      蒲池高志、Kozlowski Pawel、虎谷哲夫、吉澤一成
    • Organizer
      分子科学討論会2008
    • Place of Presentation
      福岡
    • Year and Date
      2008-09-24
  • [Presentation] アルキルペルオキソ鉄(III)錯体の反応性に関する理論的研究2008

    • Author(s)
      蒲池高志、村田幸司、向野智久、W. Nam、吉澤一成
    • Organizer
      日本化学会第88春季年会
    • Place of Presentation
      東京
    • Year and Date
      2008-03-26
  • [Presentation] アルキルペルオキソ鉄(III)錯体の密度汎関数法による反応性解析2007

    • Author(s)
      蒲池高志、村田幸司、向野智久、W. Nam、吉澤一成
    • Organizer
      分子科学討論会2007
    • Place of Presentation
      仙台
    • Year and Date
      2007-09-17
  • [Presentation] Stabilization of Substrate Radicals by Cob(II)alamin in Coenzyme B12 Dependent Mutase. An Instight form DFT Calculations2007

    • Author(s)
      T. Kamachi, P. M. Kozlowski, T. Toraya, K. Yoshizawa
    • Organizer
      International Conference on Biological Inorganic Chemistry13th
    • Place of Presentation
      Vienna
    • Year and Date
      2007-07-15
  • [Presentation] ジオールデヒドラターゼ変異型酵素の反応性に関する理論的検討2007

    • Author(s)
      蒲池高志、虎谷哲夫、吉澤一成
    • Organizer
      日本化学会第87春季年会
    • Place of Presentation
      大阪
    • Year and Date
      2007-03-25
  • [Presentation] ジオールデヒドラターゼ変異型酵素の反応性に関する理論的解析2006

    • Author(s)
      蒲池高志、虎谷哲夫、吉澤一成
    • Organizer
      日本化学会西日本大会2006
    • Place of Presentation
      沖縄
    • Year and Date
      2006-11-18
  • [Presentation] ジオールデヒドラターゼ変異型酵素の反応性に関する理論的解析2006

    • Author(s)
      蒲池高志、吉澤一成
    • Organizer
      第98回触媒討論会
    • Place of Presentation
      富山
    • Year and Date
      2006-09-26
  • [Presentation] QM/MM法によるジオールデヒドラターゼ変異体の反応性解析2006

    • Author(s)
      蒲池高志、虎谷哲夫、吉澤一成
    • Organizer
      分子構造総合討論会2006
    • Place of Presentation
      静岡
    • Year and Date
      2006-09-20
  • [Presentation] Theoretical Study on the Mechanism of Catalysis of Coenzyme B12-Dependent Diol Dehydratase2006

    • Author(s)
      Takashi Kamachi, Tetsuo Toraya, Kazunari, Yoshizawa
    • Organizer
      EUROBIC 2006
    • Place of Presentation
      Portugal
    • Year and Date
      2006-07-02
  • [Presentation] Water-assisted oxo mechanism for heme metabolism2006

    • Author(s)
      Takashi Kamachi and Kazunari, Yoshizawa
    • Organizer
      XIIth International Congress of Quantum Chemistry
    • Place of Presentation
      Kyoto
    • Year and Date
      2006-05-21

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Published: 2010-06-10   Modified: 2016-04-21  

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