2012 Fiscal Year Final Research Report
Theory and simulation of biological energy transfer and conversion processes involving π-electron systems
| Project Area | Emergence of highly elaborated pai-space and its function |
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| Project/Area Number |
20108017
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| Research Category |
Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
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| Allocation Type | Single-year Grants |
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| Review Section |
Science and Engineering
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| Research Institution | Kyoto University |
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Principal Investigator |
ANDO Koji 京都大学, 大学院・理学研究科, 准教授 (90281641)
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| Project Period (FY) |
2008 – 2012
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| Keywords | 電子移動 / プロトンポンプ / エネルギー変換 / 生体分子 |
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| Research Abstract |
To elucidate microscopic mechanism of long-distance electron transfer reaction in proteins, that play key roles in biological energy transfers, a new method has been developed to analyze electron transfer pathways based on large-scale first-principles electronic structure calculations, and applied to electron transfers in photosynthetic reaction centers. Progress has been also made in the analysis of collective dielectric phase transitions in proton-transfer organic molecular crystals and development of quantum wave packet simulation method for proton dynamics.
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