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2008 Fiscal Year Self-evaluation Report

Flexible dynamics and reactions in biomolecules

Research Project

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Project/Area Number 18066005
Research Category

Grant-in-Aid for Scientific Research on Priority Areas

Allocation TypeSingle-year Grants
Review Section Science and Engineering
Research InstitutionNagoya University

Principal Investigator

SASAI Masaki  Nagoya University, 大学院工学研究科, 教授 (30178628)

Project Period (FY) 2006 – 2009
Keywords生物物理 / 化学物理 / 自己組織化 / 生体分子 / 蛋白質
Research Abstract

蛋白質による高効率化学反応制御の基本原理の解明を目指す。複合電子系としての酵素による反応、および、それを引き金として生じる蛋白質の大規模構造変化による情報伝達、エネルギー変換を理解するためには、蛋白質および蛋白質の周囲の水分子の動きを的確に捉え、電子論的な分析と実験との橋渡しをする動力学の概念と理論的方法を見出すことが必須である。この研究では、蛋白質フォールディングの研究で開発されたエネルギーランドスケープ理論、および蛋白質立体構造予測のために開発されたフラグメントアセンブリ法を蛋白質の情報伝達、エネルギー変換反応に適用し、蛋白質の大規模構造変化に伴う柔らかいダイナミクスを解明し、新しい分子理論を展開する。とりわけ、アクトミオシンなどの分子モーターの動作機構、RAS蛋白質、カルモジュリンなどにおけるアロステリック協同性を分析して蛋白質の大きな構造変化が化学反応を制御する機構を理解する。また、エネルギーランドスケープ理論をもとに、蛋白質のフォールディング過程の考察に基づく新規の立体構造予測法を開発する。

  • Research Products

    (13 results)

All 2009 2008 2007 2006

All Journal Article (8 results) (of which Peer Reviewed: 8 results) Presentation (4 results) Book (1 results)

  • [Journal Article] Cooperativity, connectivity, and folding pathways of multidomain proteins2008

    • Author(s)
      K.Itoh and M.Sasai
    • Journal Title

      Proc.Natl.Acad.Sci.USA. 105

      Pages: 13865-13870

    • Peer Reviewed
  • [Journal Article] A coarse-grained Langevin molecular dynamics approach to de novo protein structure prediction2008

    • Author(s)
      T.N.Sasaki, H.Cetin, and M.Sasai
    • Journal Title

      Biochem.Biophys.Research Comm. 369

      Pages: 500-506

    • Peer Reviewed
  • [Journal Article] Effects of the DNA state fluctuation on single-cell dynamics of self-regulating gene2007

    • Author(s)
      Y.Okabe, Y.Yagi, and M.Sasai
    • Journal Title

      J.Chem.Phys. 127

      Pages: 105107-1-8

    • Peer Reviewed
  • [Journal Article] Monomer-shuffling and allosteric transition in circadian oscillation of KaiC phosphorylation2007

    • Author(s)
      M.Yoda, K.Eguchi, T.P.Terada, and M.Sasai
    • Journal Title

      PLoS ONE 2 e408-1-8

    • Peer Reviewed
  • [Journal Article] Fluctuating hydration structure around nanometer-size hydrophobic solutes II -Caging and drying around single-wall carbon nanotubes-2007

    • Author(s)
      T.Hotta, and M.Sasai
    • Journal Title

      J.Phys.Chem. C 111

      Pages: 2861-2871

    • Peer Reviewed
  • [Journal Article] Roles of noise in single and coupled multiple genetic oscillators2007

    • Author(s)
      M.Yoda, T.Ushikubo, W.Inoue, and M.Sasai
    • Journal Title

      J.Chem.Phys. 126

      Pages: 115101-1-11

    • Peer Reviewed
  • [Journal Article] Testing the transition state theory in stochastic dynamics of a genetic switch2006

    • Author(s)
      T.Ushikubo, W.Inoue, M.Yoda, and M.Sasai
    • Journal Title

      Chem.Phys.Lett. 430

      Pages: 139-143

    • Peer Reviewed
  • [Journal Article] Flexibly varying folding mechanism of a nearly symmetrical protein : B domain of protein A2006

    • Author(s)
      K.Itoh and M.Sasai
    • Journal Title

      Proc.Natl.Acad.Sci.USA 103

      Pages: 7298-7303

    • Peer Reviewed
  • [Presentation] Energy landscape theory of protein allostery2009

    • Author(s)
      M.Sasai
    • Organizer
      Korea-Japan seminars on biomolecular sciences - Experiments and simulations
    • Place of Presentation
      Seoul,Korea
    • Year and Date
      20090227-0302
  • [Presentation] Consistency among local and global structures in protein folding and structure prediction2008

    • Author(s)
      M. Sasai
    • Organizer
      The 8th KIAS - Yonsei Conference on Protein Structure and Function
    • Place of Presentation
      Yonsei University, Seoul, Korea
    • Year and Date
      20081009-20081011
  • [Presentation] Noise and coherent dynamics in biomolecular networks2008

    • Author(s)
      M.Sasai
    • Organizer
      Noise in complex systems : From molecular dynamics to stochastic modeling WORKSHOP 2008
    • Place of Presentation
      KAIST Daejeon, Korea
    • Year and Date
      20081006-09
  • [Presentation] Energy landscape perspective of protein functioning2007

    • Author(s)
      M. Sasai
    • Organizer
      The 3rd Asian Pacific Conference on Theoretical & Computational Chemistry
    • Place of Presentation
      Beijing
    • Year and Date
      20070922-20070926
  • [Book] 蛋白質の柔らかなダイナミクス2008

    • Author(s)
      笹井理生
    • Total Pages
      192
    • Publisher
      培風館

URL: 

Published: 2010-06-11   Modified: 2016-04-21  

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