2009 Fiscal Year Final Research Report
Molecular Informatical Breakthrough on the Water Molecule Network Controlled by Biomacromolecules and Cosolvents
| Project/Area Number |
19750004
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| Research Category |
Grant-in-Aid for Young Scientists (B)
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| Allocation Type | Single-year Grants |
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| Research Field |
Physical chemistry
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| Research Institution | Aoyama Gakuin University (2008-2009)
Nagoya University (2007) |
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Principal Investigator |
YU Isseki Aoyama Gakuin University, 理工学部, 助教 (90402544)
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| Project Period (FY) |
2007 – 2009
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| Keywords | 分子動力学 / タンパク質 / エクトイン / 溶媒効果 / 選択的水和 / Kirkwood-Buff理論 / 計算化学 |
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| Research Abstract |
In the cells of organisms living in the extreme environments, organic cosolvents, such as amino acids or sugars, are accumulated in high concentrations. This study aims to understand the influence of cosolvent additions on the property of water molecules and on the function of biomacromolecules. Using the molecular dynamic simulation combined with the statistical mechanical theory of liquid, some of the microscopic mechanisms of cosolvent protecting the protein structure against the high temperature were elucidated.
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