Large scale MD simulation studies on quaternary structural changes of hemoglobin
| Project/Area Number |
20500268
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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 |
Bioinformatics/Life informatics
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| Research Institution | Hirosaki University |
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Principal Investigator |
SAITO Minoru Hirosaki University, 大学院・理工学研究科, 教授 (60196011)
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| Co-Investigator(Kenkyū-buntansha) |
岡崎 功 弘前大学, 大学院・理工学研究科, 講師 (60332491)
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| Research Collaborator |
NAGAI Masako 法政大学, 工学研究科, 客員教授 (60019578)
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| Project Period (FY) |
2008 – 2010
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| Project Status |
Completed (Fiscal Year 2010)
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| Budget Amount *help |
¥4,420,000 (Direct Cost: ¥3,400,000、Indirect Cost: ¥1,020,000)
Fiscal Year 2010: ¥1,560,000 (Direct Cost: ¥1,200,000、Indirect Cost: ¥360,000)
Fiscal Year 2009: ¥1,430,000 (Direct Cost: ¥1,100,000、Indirect Cost: ¥330,000)
Fiscal Year 2008: ¥1,430,000 (Direct Cost: ¥1,100,000、Indirect Cost: ¥330,000)
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| Keywords | 生体生命情報学 / ヘモグロビン / 四次構造変化 / シミュレーション / 並列計算機 / サブユニット |
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| Research Abstract |
I accelerated my software COSMOS90 by vectorization and parallelization on supercomputers and made it possible to perform long MD simulations for hemoglobin under the realistic condition, in water with all degrees of freedom and long-range Coulomb interactions included. I found quaternary structural changes and dynamics of hemoglobin.
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Report
(4 results)
Research Products
(7 results)
