• Search Research Projects
  • Search Researchers
  • How to Use
  1. Back to previous page

Energy Transfer in a Protein Molecule: From Chemical Reaction to Structural Change

Research Project

Project/Area Number 11480192
Research Category

Grant-in-Aid for Scientific Research (B)

Allocation TypeSingle-year Grants
Section一般
Research Field Biophysics
Research InstitutionYokohama City University (2001)
Kyoto University (1999-2000)

Principal Investigator

KIDERA Akinori  okohama City University, Graduate School of Intergrated Science, Professor, 大学院・総合理学研究科, 教授 (00186280)

Co-Investigator(Kenkyū-buntansha) KINOSHITA Kengo  Yokohama City University, Graduate School of Integrated Science, Instructor, 大学院・総合理学研究科, 助手 (60332293)
KITAO Akio  Kyoto University, Graduate School of Science, Research Assistant, 大学院・理学研究科, 助手 (30252422)
Project Period (FY) 1999 – 2001
Project Status Completed (Fiscal Year 2001)
Budget Amount *help
¥13,500,000 (Direct Cost: ¥13,500,000)
Fiscal Year 2001: ¥1,800,000 (Direct Cost: ¥1,800,000)
Fiscal Year 2000: ¥3,300,000 (Direct Cost: ¥3,300,000)
Fiscal Year 1999: ¥8,400,000 (Direct Cost: ¥8,400,000)
Keywordsproteins / anharmonic vibration / vibrational reluxation / mode coupling / Fermi resonance / myoglobin / 非線型振動 / フレルミ共鳴 / ミオグロビンL
Research Abstract

Anharmonic dynamics of a protein molecule was studied by molecular dynamics simulations of the vibrational energy transferred of myoglobin. It was found that there are two distinct schemes of the energy transfer, depending on temperature. At near zero temperature, the vibrational energy is transferred as a process of the Fermi resonance, from one mode exclusively to a limited number of modes having resonance frequencies. On the other hand, as temperature increases, the resonance type transfer is dominated by the off-resonance energy transfer through the various mode-coupling terms. Near room temperature, the energy transfers involves the higher order coupling terms together with the indirect transfers through intermediate modes. At about 170 K, we have observed a glass transition-line phenomenon in the vibrational energy transfer.

Report

(4 results)
  • 2001 Annual Research Report   Final Research Report Summary
  • 2000 Annual Research Report
  • 1999 Annual Research Report
  • Research Products

    (22 results)

All Other

All Publications (22 results)

  • [Publications] A.Kidera: "Smart Monte Carlo simulation of a globular protein"International Journal of Quantum Chemistry. 75. 207-214 (1999)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2001 Final Research Report Summary
  • [Publications] N.Nakajima: "Free energy landscapes of short peptides by enhanced conformational sampling"Journal of Molecular Biology. 296. 197-218 (2000)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2001 Final Research Report Summary
  • [Publications] K.Moritsugu: "Vibrational Energy Transfer in a Protein Molecule"Physical Review letter. 85. 3970-3973 (2000)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2001 Final Research Report Summary
  • [Publications] H.Yamashita: "Sampling Efficiency of Molecular Dynamics and Monte Carlo Method in Protein Simulation"Chemical Physics Letter. 342. 382-386 (2001)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2001 Final Research Report Summary
  • [Publications] S.-H.Chong: "Dynamical Transition of Myoglobin in a Crystal. ComparativeStudies of X-ray Crystallography and Mossbauer Spectroscopy"European Biophysics Journal. 30. 319-329 (2001)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2001 Final Research Report Summary
  • [Publications] T.Terada: "A generalized form of the conserved quantity in constant-temperature molecular dynamics"Journal of Chemical Physics. 116. 33-41 (2002)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2001 Final Research Report Summary
  • [Publications] A. Kidera: "Smart Monte Carlo simulation of a globular protein"Int.J.Quantum Chem. 75. 207-214 (1999)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2001 Final Research Report Summary
  • [Publications] N.Nakajima, J.Higo, A.Kidera, H.Nakamura: "Free energy landscapes of short peptides by enhanced conformational sampling"J.Mol.Biol.. 296. 197-218 (2000)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2001 Final Research Report Summary
  • [Publications] K.Moritsugu, O.Miyashita, A.Kidera: "Vibrational Energy Transfer in a Protein Molecule"Phys.Rev.Lett. 85. 3970-3973 (2000)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2001 Final Research Report Summary
  • [Publications] S.-H Chong, Y.Joti, A.Kidera, N.Go, A.Ostermann, A.Gassmann, F.Parak: "Dynamical Transition of Myoglobin in a Crystal. Comparative Studies of X-ray Crystallography and Mossbauer Spectroscopy"European Biophysics J.. 30. 319-329 (2001)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2001 Final Research Report Summary
  • [Publications] T.Terada, A.Kidera: "A generalized form of the conserved quantity in constant-temperature molecular dynamics"J.Chem.Phys. 116. 33-41 (2002)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2001 Final Research Report Summary
  • [Publications] H.Yamashita: "Environmantal lnfluence on Electron Seatlering from a Moleub"Aeta Cryatallographica. A57. 518-525 (2001)

    • Related Report
      2001 Annual Research Report
  • [Publications] H.Yamashita: "Sampling Efficieucy of Moleculan Dynamics and Monte Caslo Method in Protein Simulations"Chemicul Physics Letters. 342. 382-386 (2001)

    • Related Report
      2001 Annual Research Report
  • [Publications] T.Terada: "A Generaliged form of the consersed gualtity in constont-templeration moleculan dynamics"Journal of Chenical Plysics. 116. 33-41 (2002)

    • Related Report
      2001 Annual Research Report
  • [Publications] N.Nakajima: "Free energy landscapes of short peptides by enhanced conformational sampling"J.Mol.Biol.2. 296. 197-218 (2000)

    • Related Report
      2000 Annual Research Report
  • [Publications] K.Moritsugu.: "Vibrational Energy Transfer in a Protein Molecule"Phys.Rev.Lett.. 85. 3970-3973 (2000)

    • Related Report
      2000 Annual Research Report
  • [Publications] A.R.Kinjo: "Physico-chemical evaluation of protein folds predicted by threading"European Biophysics J.. 29(in press). (2000)

    • Related Report
      2000 Annual Research Report
  • [Publications] S.-H.Chong: "Dynamical Transition of Myoglobin in a Crystal. Comparative Studies of X-ray Crystallography and Mossbauer Spectroscopy"European Biophysics J.. 30(in press). (2001)

    • Related Report
      2000 Annual Research Report
  • [Publications] K.Mitsuoka,T.Hirai,K.Murata,A.Miyazawa,A.Kidera,Y.Kimura,and Y.Fujiyoshi: "Charge distribution in the refined structure of bacteriorhodopsin based on electron crystallography"J. Mol. Biol.. 286. 861-882 (1999)

    • Related Report
      1999 Annual Research Report
  • [Publications] A.Kidera: "Smart Monte Carlo simulation of a globular protein"Int. J. Quantum Chem.. 75. 207-214 (1999)

    • Related Report
      1999 Annual Research Report
  • [Publications] F.Parak,A.Ostermann,A.Gassmann,C.Seherk,S.-H.Ching,A.Kidera,N.Go: "Biomolecules: Fluctuations and relaxations""Biological Physics: Third International Symposium", AIP Conference Proceedings. 487. 117-127 (1999)

    • Related Report
      1999 Annual Research Report
  • [Publications] N.Nakajima,J.Higo,A.Kidera,H.Nakamura: "Free energy landscapes of short peptides by enhanced conformational sampling"J. Mol. Biol.. 296. 197-218 (2000)

    • Related Report
      1999 Annual Research Report

URL: 

Published: 1999-04-01   Modified: 2016-04-21  

Information User Guide FAQ News Terms of Use Attribution of KAKENHI

Powered by NII kakenhi