Roles of hyper-anisotropic dynamics and frustration on protein function investigated in sub-msec order
Roles of hyper-anisotropic dynamics and frustration on protein function investigated in sub-msec order
批准号:
19370062
负责人:
KITAO Akio
金额:
$11.65万
依托单位:
依托单位国家:
日本
项目类别:
Grant-in-Aid for Scientific Research (B)
财政年份:
2007
资助国家:
日本
项目状态:
已结题
起止时间:
2007 至 2010
中文摘要
为了在较宽的时间和空间范围内阐明蛋白质的详细功能原理,我们重点研究了纳秒级到亚毫秒级的动力学,通过分子模拟观察了与功能相关的蛋白质动力学,并研究了系统的超各向异性和阻挫。我们还发展了从大规模并行模拟中计算自由能景观和提取高维动力学中相关运动的方法,并用它们来研究蛋白质动力学与功能之间的关系。
英文摘要
To elucidate the detailed protein functional principle in broad time and space ranges, we focused on the dynamics of nano to sub-milli sec order, observed function relevant protein dynamics by molecular simulation, and studied the hyper anisotropy and frustration of the systems. We also have developed the methods to calculate free energy landscape from massive parallel simulations and to extract correlated motions in high dimensional dynamics and used them to investigate the relation between protein dynamics and function.
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Free energy landscape analysis of biomolecules by massive parallel multi-scale simulation
通过大规模并行多尺度模拟进行生物分子自由能景观分析
DOI:
--
发表时间:
2010
期刊:
影响因子:
--
作者:
[Jeremy C. Smith, Akio Kitao and Ahmed H. Zewail, 北尾彰朗, 北尾彰朗, 竹村和浩, 原田隆平, 桜庭俊, 北尾彰朗, Akio Kitao, 二島渉, 原田隆平, 原田隆平]
通讯作者:
原田隆平
分子モデリングによる細菌べん毛モーター固定子MotA/MotB複合体の立体構造予測
通过分子建模预测细菌鞭毛运动定子MotA/MotB复合体的三维结构
DOI:
--
发表时间:
2010
期刊:
影响因子:
--
作者:
[Jeremy C. Smith, Akio Kitao and Ahmed H. Zewail, 北尾彰朗, 北尾彰朗, 竹村和浩, 原田隆平, 桜庭俊, 北尾彰朗, Akio Kitao, 二島渉, 原田隆平, 原田隆平, 西原泰孝]
通讯作者:
西原泰孝
Molecular simulation study to examine the possibility of detecting protein conformational motions by coherent neutron scattering
分子模拟研究探讨通过相干中子散射检测蛋白质构象运动的可能性
DOI:
--
发表时间:
2008
期刊:
影响因子:
--
作者:
[Y. Joti, A. Kitao]
通讯作者:
A. Kitao
DOI:
10.1016/j.bpj.2009.08.019
发表时间:
2009-11-04
期刊:
BIOPHYSICAL JOURNAL
影响因子:
3.4
作者:
[Loeffler, Hannes H., Kitao, Akio]
通讯作者:
Kitao, Akio
Enhanced resolution of molecular recognition to distinguish structurally similar molecules by different conformational responses of a protein uponligand binding
增强分子识别的分辨率,通过配体结合时蛋白质的不同构象响应来区分结构相似的分子
DOI:
--
发表时间:
2011
期刊:
Journal of Structural Biology
影响因子:
3
作者:
[Shinmoto, H., et al., Takahashi A., 李秀〓, Mariko Higuchi]
通讯作者:
Mariko Higuchi
共 125 条
Structure modeling and functional analysis of rotary motor state proteins based on mutational information
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批准号:23370066
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项目类别:Grant-in-Aid for Scientific Research (B)
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资助金额:$12.81万
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财政年份:2011
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负责人:KITAO Akio
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依托单位:
Development of simulation methods for biological supramolecular structure and function analyses
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批准号:16087202
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项目类别:Grant-in-Aid for Scientific Research on Priority Areas
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资助金额:$51.9万
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财政年份:2004
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负责人:KITAO Akio
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依托单位:
Underlying mechanism of bio-nano-machine investigated by massive molecular dynamics method
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批准号:15300103
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项目类别:Grant-in-Aid for Scientific Research (B)
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资助金额:$10.18万
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财政年份:2003
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负责人:KITAO Akio
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依托单位:
Mechanism of the CD2/CD58 complex formation in immune system
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批准号:11680657
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项目类别:Grant-in-Aid for Scientific Research (C)
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资助金额:$2.3万
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财政年份:1999
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负责人:KITAO Akio
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依托单位:
Dynamics of the Electron Transfer Reaction in Cytochrome b_5
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批准号:06680650
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项目类别:Grant-in-Aid for General Scientific Research (C)
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资助金额:$1.41万
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财政年份:1994
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负责人:KITAO Akio
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依托单位:
海外基金