Construction of protein-structure prediction method based on liquid state theory
| Project/Area Number |
22300100
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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 | Kyoto University |
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Principal Investigator |
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| Co-Investigator(Renkei-kenkyūsha) |
TAKADA Shoji 京都大学, 大学院・理学研究科, 教授 (60304086)
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| Project Period (FY) |
2010 – 2012
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| Project Status |
Completed (Fiscal Year 2012)
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| Budget Amount *help |
¥17,290,000 (Direct Cost: ¥13,300,000、Indirect Cost: ¥3,990,000)
Fiscal Year 2012: ¥5,460,000 (Direct Cost: ¥4,200,000、Indirect Cost: ¥1,260,000)
Fiscal Year 2011: ¥5,330,000 (Direct Cost: ¥4,100,000、Indirect Cost: ¥1,230,000)
Fiscal Year 2010: ¥6,500,000 (Direct Cost: ¥5,000,000、Indirect Cost: ¥1,500,000)
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| Keywords | 蛋白質 / フォールディング / 立体構造予測 / 水和 / 自由エネルギー関数 / α-ヘリックス / エントロピー / 膜蛋白質 / ケミカルシフト / 水和エントロピー / 積分方程式論 / 形態熱力学理論 / フラグメントアセンブリ法 / 分子性流体用積分方程式論 / 比較モデリング法 |
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| Research Abstract |
We analyze the structural stabilities of proteins in aqueous and nonpolar environments, thus revealing their differences. Free-energy functions are constructed for these proteins on the basis of liquid-state theories and their usefulness is demonstrated. After generating a number of candidate structures using typical bioinformatics techniques, we select the structure giving the free-energy function for a protein in aqueous environment: Promising results are obtained for several proteins tested.
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Report
(4 results)
Research Products
(105 results)
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[Presentation] Effects of Side-Chain Packing on the Formation of Secondary Structures in Protein Folding2010
Author(s)
S.Yasuda, T.Yoshidome, H.Oshima, R.Kodama, Y.Harano, M.Kinoshita
Organizer
Pacifichem 2010, Topic Area-Physical, Theoretical & Computational, "New Experimental and Computational Probes of Water in Biological Systems (#130)"
Place of Presentation
Honolulu, Hawaii, USA
Year and Date
2010-12-19
Related Report
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[Presentation] Free-Energy Function for Discriminating the Native Fold of a Protein from Misfolded Decoys2010
Author(s)
S.Yasuda, T.Yoshidome, Y.Harano, R.Roth, H.Oshima, Y.Sugita, M.Ikeguchi, M.Kinoshita
Organizer
International Symposium of Advanced Energy Science
Place of Presentation
Obaku Plaza, Kyoto University, Uji, Japan
Year and Date
2010-11-18
Related Report
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