Theoretical Study on Flexible Structure and Reaction Process of Biological Systems
| Project/Area Number |
18066013
|
|---|
| Research Category |
Grant-in-Aid for Scientific Research on Priority Areas
|
| Allocation Type | Single-year Grants |
|---|
| Review Section |
Science and Engineering
|
|---|
| Research Institution | Kyushu University |
|---|
Principal Investigator |
YOSHIZAWA Kazunari Kyushu University, 先導物質化学研究所, 教授 (30273486)
|
|---|
| Project Period (FY) |
2006 – 2009
|
| Project Status |
Completed (Fiscal Year 2009)
|
| Budget Amount *help |
¥18,300,000 (Direct Cost: ¥18,300,000)
Fiscal Year 2009: ¥3,200,000 (Direct Cost: ¥3,200,000)
Fiscal Year 2008: ¥5,500,000 (Direct Cost: ¥5,500,000)
Fiscal Year 2007: ¥5,500,000 (Direct Cost: ¥5,500,000)
Fiscal Year 2006: ¥4,100,000 (Direct Cost: ¥4,100,000)
|
|---|
| Keywords | 量子化学 / 酵素反応 / 物性化学 / 分子理論 / 金属酵素 / 量子輸送 / 大規模計算 / 化学反応 / 密度汎関数法 / 酵素 / 量子輸送過程 / 生体分子 / 分子力学 / 電子輸送 |
|---|
| 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.
|
Report
(6 results)
Research Products
(96 results)
-
-
-
-
-
-
-
-
-
-
-
-
-
-
[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
-
Journal Title
Zeitschrift fur Naturforschung B 64
Pages: 1580-1590
Related Report
Peer Reviewed
-
-
-
-
[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
-
Journal Title
Inorganic Chemistry 49
Pages: 2464-2470
Related Report
Peer Reviewed
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
