Molecular mechanisms of the ion channel gating
| Project/Area Number |
15H05594
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| Research Category |
Grant-in-Aid for Young Scientists (A)
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| Allocation Type | Single-year Grants |
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| Research Field |
Biophysics
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| Research Institution | Institute of Physical and Chemical Research |
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Principal Investigator |
MORI Takaharu 国立研究開発法人理化学研究所, 杉田理論分子科学研究室, 研究員 (90402445)
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| Project Period (FY) |
2015-04-01 – 2018-03-31
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| Project Status |
Completed (Fiscal Year 2017)
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| Budget Amount *help |
¥22,750,000 (Direct Cost: ¥17,500,000、Indirect Cost: ¥5,250,000)
Fiscal Year 2017: ¥8,320,000 (Direct Cost: ¥6,400,000、Indirect Cost: ¥1,920,000)
Fiscal Year 2016: ¥6,500,000 (Direct Cost: ¥5,000,000、Indirect Cost: ¥1,500,000)
Fiscal Year 2015: ¥7,930,000 (Direct Cost: ¥6,100,000、Indirect Cost: ¥1,830,000)
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| Keywords | 分子動力学 / 膜タンパク質 / イオンチャネル / 分子動力学計算 / 生物物理 / 蛋白質 / 生体膜 / 分子動力学シミュレーション / 分子シミュレーション |
|---|
| Outline of Final Research Achievements |
Since membrane proteins are large bimolecular systems, it is difficult to simulate their large conformational changes like gating of ion channel proteins by using conventional methods. To solve such problems, we developed new methods such as the multi-dimensional replica-exchange method, implicit solvent model, and parallel computing algorithm for cryo-EM flexible fitting. By using these methods, we simulated the P2X4 receptor, and elucidated the molecular mechanisms of the channel gating.
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Report
(4 results)
Research Products
(13 results)
