2009 Fiscal Year Final Research Report
Theoretical Study on Flexible Structure and Reaction Process of Biological Systems
| Project/Area Number |
18066013
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| Research Category |
Grant-in-Aid for Scientific Research on Priority Areas
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| Allocation Type | Single-year Grants |
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| Review Section |
Science and Engineering
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| Research Institution | Kyushu University |
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Principal Investigator |
YOSHIZAWA Kazunari Kyushu University, 先導物質化学研究所, 教授 (30273486)
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| Project Period (FY) |
2006 – 2009
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| Keywords | 量子化学 / 酵素反応 / 物性化学 |
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| Research Abstract |
In this study quantum mechanical/molecular mechanical (QM/MM) calculations and molecular dynamics about active site structure and reaction mechanism of enzymes simulations are performed. By means of QM/MM calculations the mechanism of substrate specific and stereo specific reactions of enzymes are studied.
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[Journal Article] Stereochemistry of Disilanylene-Containing Cyclic Compounds. Synthesis and Palladium-Catalyzed Reactions of cisand trans-3, 4-Benzo-1, 2-diisopropyl-1, 2-di methyl-1, 2-disilacyclobut-3-ene2009
Author(s)
A. Naka, J. Sakata, J. Ikadai, H. Kawasaki, J. Ohshita, A. Kunai, K. Yoshizawa, M. Ishikawa
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Journal Title
Zeitschrift fur Naturforschung B 64
Pages: 1580-1590
Peer Reviewed
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[Journal Article] heoretical Study on Activation and Protonation of Dinitrogen on Cubane-Type MIr3S4 Clusters (M = V, Cr, Mn, Fe, Co, Ni, Cu, Mo, Ru and W)2009
Author(s)
H. Tanaka, F. Ohsako, H. Seino, Y. Mizobe, K. Yoshizawa
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Journal Title
Inorganic Chemistry 49
Pages: 2464-2470
Peer Reviewed
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