2016 Fiscal Year Final Research Report
Theoretical studies of conformation transition dynamics and functions of biomolecules
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 |
Section | 一般 |
Research Field |
Physical chemistry
|
Research Institution | Institute for Molecular Science |
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)
|
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)
|
Research Collaborator |
ONO Jun-ichi
MORI Toshifumi
KODA Shin-ichi
|
Project Period (FY) |
2013-04-01 – 2016-03-31
|
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 |
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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Free Research Field |
物理化学、理論化学
|