Atomistic molecular dynamics simulation analysis of molecular physiological problems involving ion channel activity regulation
| Project/Area Number |
21590241
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| Research Category |
Grant-in-Aid for Scientific Research (C)
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| Allocation Type | Single-year Grants |
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| Section | 一般 |
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| Research Field |
General physiology
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| Research Institution | Teikyo University |
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Principal Investigator |
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| Project Period (FY) |
2009 – 2011
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| Project Status |
Completed (Fiscal Year 2011)
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| Budget Amount *help |
¥4,680,000 (Direct Cost: ¥3,600,000、Indirect Cost: ¥1,080,000)
Fiscal Year 2011: ¥2,080,000 (Direct Cost: ¥1,600,000、Indirect Cost: ¥480,000)
Fiscal Year 2010: ¥1,950,000 (Direct Cost: ¥1,500,000、Indirect Cost: ¥450,000)
Fiscal Year 2009: ¥650,000 (Direct Cost: ¥500,000、Indirect Cost: ¥150,000)
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| Keywords | 生体膜 / チャネル / トランスポーター / 脂質ラフト / 計算化学 / 脂質膜融合 / 分子動力学 / 分子シミュレーション / 構造生物化学 / 分子生物物理 / 自由エネルギー摂動法 / 脂質膜 / 膜ドメイン構造 / コレステロール / 膜融合 / 細胞内分子移動 / 膜ドメイン形成 / SNARE / イオンチャネル / カリウムチャネル |
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| Research Abstract |
To gain insight into structure-function relationship of Kv channel and other physiological issues, molecular dynamics(MD) simulations were conducted. Atomistic details regarding Kv channel closing mechanism were revealed. We also applied coarse-grained MD simulations to curved membranes, in particular, hemifusion-mimicking membrane systems. The latter analysis showed that lipids with a high degree of negative spontaneous curvature tend to be enriched at the junction of the bilayers that is highly curved. We also showed that cholesterol-dependent formation of lipid microdomains proceeds under strong influence of membrane curvature. The possibility that such curvature dependent localization of microdomains may contribute to the intracellular lipid sorting was discussed.
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Report
(4 results)
Research Products
(15 results)
