Simulation study on functions of an anti-microbial peptide
| Project/Area Number |
25330355
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| Research Category |
Grant-in-Aid for Scientific Research (C)
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| Allocation Type | Multi-year Fund |
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| Section | 一般 |
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| Research Field |
Life / Health / Medical informatics
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| Research Institution | Nagahama Institute of Bio-Science and Technology |
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Principal Investigator |
Yoda Takao 長浜バイオ大学, バイオサイエンス学部, 准教授 (50367900)
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| Project Period (FY) |
2013-04-01 – 2016-03-31
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| Project Status |
Completed (Fiscal Year 2015)
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| Budget Amount *help |
¥4,940,000 (Direct Cost: ¥3,800,000、Indirect Cost: ¥1,140,000)
Fiscal Year 2015: ¥2,210,000 (Direct Cost: ¥1,700,000、Indirect Cost: ¥510,000)
Fiscal Year 2014: ¥2,210,000 (Direct Cost: ¥1,700,000、Indirect Cost: ¥510,000)
Fiscal Year 2013: ¥520,000 (Direct Cost: ¥400,000、Indirect Cost: ¥120,000)
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| Keywords | 抗菌ペプチド / 分子シミュレーション / 分子動力学シミュレーション / 分子動力学法 / シミュレーション / 拡張アンサンブル法 |
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| Outline of Final Research Achievements |
Here we performed simulation studies on conformations of a defensin-family peptide, Crp-4, and its interaction with membrane. Our replica-exchange molecular dynamics simulations have revealed effects of the evolutionally conserved disulfide bridges of Crp-4 on its conformations in an environment near negatively charged membrane. The spatial distribution of positively charged groups in the peptide has been shown to correlate with the number of disulfide bridges formed. The disulfide bridge between Cys11 and Cys28 seems to affect the hydrophobic cluster formation within the peptide molecule.
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Report
(4 results)
Research Products
(7 results)
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[Journal Article] GENESIS: A hybrid-parallel and multi-scale molecular dynamics simulator with enhanced sampling algorithms for biomolecular and cellular simulations2015
Author(s)
Jung, J., Mori, T., Kobayashi, C., Matsunaga, Y., Yoda, T., Feig, M., Sugita, Y.
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Journal Title
WIREs; Comput. Mol. Sci.
Volume: -
Related Report
Peer Reviewed
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