Theoretical study on molecular mechanisms of protein functions
| Project/Area Number |
25291034
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| Research Category |
Grant-in-Aid for Scientific Research (B)
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| Allocation Type | Partial Multi-year Fund |
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| Section | 一般 |
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| Research Field |
Biophysics
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| Research Institution | Kyoto University |
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Principal Investigator |
Hayashi Shigehiko 京都大学, 理学(系)研究科(研究院), 教授 (70402758)
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| Project Period (FY) |
2013-04-01 – 2016-03-31
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| Project Status |
Completed (Fiscal Year 2015)
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| Budget Amount *help |
¥17,940,000 (Direct Cost: ¥13,800,000、Indirect Cost: ¥4,140,000)
Fiscal Year 2015: ¥5,720,000 (Direct Cost: ¥4,400,000、Indirect Cost: ¥1,320,000)
Fiscal Year 2014: ¥5,720,000 (Direct Cost: ¥4,400,000、Indirect Cost: ¥1,320,000)
Fiscal Year 2013: ¥6,500,000 (Direct Cost: ¥5,000,000、Indirect Cost: ¥1,500,000)
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| Keywords | 分子シミュレーション / ハイブリッド法 / タンパク質 / 酵素反応 / シグナル伝達タンパク質 / 光受容体 / 分子モーター / ハイブリッド QM/MM 法 / 分子動力学シミュレーション / 酵素 / モータータンパク質 / アロステリック効果 / G タンパク質 / 光受容タンパク質 / 光受容体タンパク質 / 多極子相互作用 |
|---|
| Outline of Final Research Achievements |
Protein functions are fulfilled by correlation among various phenomena on different spatial and temporal scales ranging from enzymatic reactions to global conformational changes of proteins. By using a novel molecular simulation approach developed recently by us, QM/MM RWFE-SCF, which is capable of describing such correlations of various phenomena on different scale, we succeeded in obtaining novel molecular mechanistic insights into enzymatic catalysis of Ras-GAP GTPase and its mutants, photoactivation process of rhodopsin visual receptor, and chemo-mechanical coupling of F1-ATPase molecular motor.
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Report
(4 results)
Research Products
(33 results)
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[Journal Article] Atomistic design of microbial opsin-based blue-shifted optogenetics tools2015
Author(s)
Kato HE, Kamiya M, Sugo S, Ito J, Taniguchi R, Orito A, Hirata K, Inutsuka A,Yamanaka A, Maturana AD, Ishitani R, Sudo Y, Hayashi S, Nureki O
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Journal Title
Nat Commun
Volume: 6
Issue: 1
Pages: 7177-7177
DOI
NAID
Related Report
Peer Reviewed / Open Access / Int'l Joint Research
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[Journal Article] A blue-shifted light-driven proton pump for neural silencing2013
Author(s)
Sudo, Y., Okazaki, A., Ono, H., Yagasaki, J., Sugo, S., Kamiya, M., Reissig, L., Inoue, K., Ihara, K., Kandori, H., Takagi, S., Hayashi, S.
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Journal Title
J. Biol. Chem.
Volume: 288
Issue: 28
Pages: 20624-20632
DOI
Related Report
Peer Reviewed
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