2009 Fiscal Year Final Research Report
Protein folding simulation on the large scale computer system
| Project/Area Number |
19300101
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| Research Category |
Grant-in-Aid for Scientific Research (B)
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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 | Nagoya University (2008-2009)
Tokyo Institute of Technology (2007) |
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Principal Investigator |
OTA Motonori Nagoya University, 大学院・情報科学研究科, 教授 (40290895)
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| Co-Investigator(Renkei-kenkyūsha) |
IKEGUCHI Mitsunori 横浜市立大学, 大学院・生命ナノシステム科学研究科, 准教授 (60261955)
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| Project Period (FY) |
2007 – 2009
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| Keywords | 分子動力学 / シミュレーション / スーパーコンピュータ / 軌道解析技術 |
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| Research Abstract |
Because of the progress of computational technology, a large scale calculation that would be unrealistic a couple of years ago, becomes realistic nowadays. In this study, we conducted protein folding simulations on the large scale computers, and analyzed large amount of data produced by the simulations, using newly developed techniques. We simulated folding of Trp-Cage and λrepressor, and developed the multiple trajectory alignment, the partial order trajectory alignment, the itinerary profile.
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