| Project/Area Number |
25288011
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| Research Category |
Grant-in-Aid for Scientific Research (B)
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| Allocation Type | Partial Multi-year Fund |
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| Section | 一般 |
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| Research Field |
Physical chemistry
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| Research Institution | Institute for Molecular Science |
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Principal Investigator |
SAITO Shinji 分子科学研究所, 理論・計算分子科学研究領域, 教授 (70262847)
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| Co-Investigator(Renkei-kenkyūsha) |
TAKADA Shoji 京都大学, 大学院理学研究科, 教授 (60304086)
AKIYAMA Shuji 分子科学研究所, 協奏分子システム研究センター, 教授 (50391842)
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| Research Collaborator |
ONO Jun-ichi
MORI Toshifumi
KODA Shin-ichi
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| Project Period (FY) |
2013-04-01 – 2016-03-31
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| Project Status |
Completed (Fiscal Year 2016)
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| Budget Amount *help |
¥17,550,000 (Direct Cost: ¥13,500,000、Indirect Cost: ¥4,050,000)
Fiscal Year 2015: ¥6,630,000 (Direct Cost: ¥5,100,000、Indirect Cost: ¥1,530,000)
Fiscal Year 2014: ¥6,760,000 (Direct Cost: ¥5,200,000、Indirect Cost: ¥1,560,000)
Fiscal Year 2013: ¥4,160,000 (Direct Cost: ¥3,200,000、Indirect Cost: ¥960,000)
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| Keywords | 階層的動力学 / 構造変化 / 概日リズム / 時計タンパク質KaiC / 二次元寿命スペクトル / 三時間相関関数 / 分子動力学 / 時計タンパク質 / タンパク質 / 構造変化動力学 / 階層ダイナミクス / 動的構造 / 反応座標 / 分子シミュレーション / 多時間相関関数 / 生体分子 / 構造遍歴 |
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| Outline of Final Research Achievements |
In this research project, we have developed two new analytical methods to reveal conformational fluctuations and changes of biomolecular systems. One is the method to extract slow modes in a dynamic quantity, for example a time-correlation matrix, calculated from the trajectories of molecular dynamics simulations. We applied the present method to examine the folding/unfolding processes of FiP35 WW domain and villin headpiece subdomain. The other is a development of time-dependent two-dimensional lifetime spectra to reveal the time evolution of coupling of motions between different time scales. We applied the method to the structural fluctuations of Adenylate kinase calculated with a coarse grained model. In addition to the development of the above methods, we have investigated the local structure of KaiC, which is the main protein of circadian rhythm of cyanobacteria.
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