2012 Fiscal Year Final Research Report
Microscopic breakthrough in the molecular crowding effects promotethe functions of biomolecules
| Project/Area Number |
22750015
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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 |
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Principal Investigator |
YU Isseki 青山学院大学, 理工学部, 助教 (90402544)
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| Project Period (FY) |
2010 – 2012
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| Keywords | 分子クラウディング / 分子動力学 / 蛋白質 / 自由エネルギー / オスモライト |
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| Research Abstract |
Molecular crowding condition in the cytoplasm was modeled by osmolyte TMAO found in the cells of deep-sea fishes. Thermodynamic quantities (partial molar volume and transfer free energy) of the protein in crowding solution were calculated by Kirkwood-Buff (KB) theory using the atomic configurations of the solvent speciesgenerated by MD simulation. Furthermore, 3-dimensional distribution and dynamics of those quantities were revealed with uniquely developed space-time deconvolution techniques of the KB integrals. These data provided the microscopic picture of the molecular crowding effect.
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