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 |
Research Field |
Physical chemistry
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Research Institution | University of the Ryukyus |
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
|
Project Period (FY) |
2014-04-01 – 2018-03-31
|
Project Status |
Completed (Fiscal Year 2017)
|
Budget Amount *help |
¥4,160,000 (Direct Cost: ¥3,200,000、Indirect Cost: ¥960,000)
Fiscal Year 2017: ¥780,000 (Direct Cost: ¥600,000、Indirect Cost: ¥180,000)
Fiscal Year 2016: ¥780,000 (Direct Cost: ¥600,000、Indirect Cost: ¥180,000)
Fiscal Year 2015: ¥1,170,000 (Direct Cost: ¥900,000、Indirect Cost: ¥270,000)
Fiscal Year 2014: ¥1,430,000 (Direct Cost: ¥1,100,000、Indirect Cost: ¥330,000)
|
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 / 理論化学 / 光捕集アンテナ / 分子動力学シミュレーション / FMOタンパク / 励起子相互作用 / MDシミュレーション |
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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Report
(4 results)
Research Products
(25 results)
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[Journal Article] Four Aromatic Sulfates with an Inhibitory Effect against HCV NS3 Helicase from the Crinoid Alloeocomatella polycladia2017
Author(s)
Idam Hermawan, Atsushi Furuta, Masahiro Higashi, Yoshihisa Fujita, Nobuyoshi Akimitsu, Atsuya Yamashita, Kohji Moriishi, Satoshi Tsuneda, Hidenori Tani, Masamichi Nakakoshi, Masayoshi Tsubuki, Yuji Sekiguchi, Naohiro Noda, Junichi Tanaka
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Journal Title
Marine Drugs
Volume: 15
Issue: 4
Pages: 117-117
DOI
Related Report
Peer Reviewed / Open Access / Acknowledgement Compliant
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