2017 Fiscal Year Final Research Report
Theoretical investigation of excitation energy transfer in biomolecular systems with molecular simulation
| Project/Area Number |
26810008
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| Research Category |
Grant-in-Aid for Young Scientists (B)
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| Allocation Type | Multi-year Fund |
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| Research Field |
Physical chemistry
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| Research Institution | University of the Ryukyus |
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Principal Investigator |
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| Research Collaborator |
SAITO Shinji 分子科学研究所, 理論・計算分子科学研究領域 理論分子科学第一研究部門, 教授
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| Project Period (FY) |
2014-04-01 – 2018-03-31
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| Keywords | 励起エネルギー移動 / 光捕集複合体 / 分子シミュレーション / 理論解析 / EETダイナミクス |
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| Outline of Final Research Achievements |
Our purpose is to investigate the roles of protein structures and fluctuations on the efficient light-energy transfer in light-harvesting antennas by developing efficient methods combining quantum chemical method and molecular dynamics simulation. We developed a method for analyzing excitation energies and their fluctuations of pigments in the light-harvesting antennas. By using the method, we succeeded in reproducing excitation energies and their fluctuations of seven pigments in the light-harvesting FMO protein. We also developed a method for analyzing exciton couplings and their fluctuations between pigments.
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| Free Research Field |
理論化学
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