| 兔子朊蛋白结构稳定性的分子动力学研究(英文) |
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| 引用本文： | 陈欣,金相逢,刘亚芳,张敬来. 兔子朊蛋白结构稳定性的分子动力学研究(英文)[J]. 化学研究, 2012, 0(6): 58-63 |
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| 作者姓名： | 陈欣 金相逢 刘亚芳 张敬来 |
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| 作者单位： | 河南大学化学化工学院 |
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| 基金项目： | This work is supported by the National Science Foundation of China(21003037and 30900236) |
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| 摘 要： | 朊蛋白病是一种能够对人类和动物带来致命影响,并具有高度传染性的神经退行性疾病.兔子是目前已经报道的哺乳类动物中对朊蛋白病免疫的少数几个物种之一.我们将分子动力学和操控式分子动力学模拟相结合,研究了兔子正常朊蛋白的结构稳定性;同时讨论了蛋白结构的收敛性及刚性分布,并揭示了兔子朊蛋白中关键二级结构的动力学以及受力各向异性特征,证实了兔子朊蛋白结构的稳定性特征.
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| 关 键 词： | 兔子朊蛋白 结构稳定性 分子动力学模拟 操控式分子动力学模拟 |
Study on stability of rabbit prion protein by molecular dynamics simulation |
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| CHEN Xin,JIN Xiang-feng,LIU Ya-fang,ZHANG Jing-lai. Study on stability of rabbit prion protein by molecular dynamics simulation[J]. Chemical Research, 2012, 0(6): 58-63 |
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| Authors: | CHEN Xin JIN Xiang-feng LIU Ya-fang ZHANG Jing-lai |
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| Affiliation: | (College of Chemistry and Chemical Engineering,Henan University,Kaifeng475004,Henan,China) |
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| Abstract: | Prion diseases are fatal and highly infectious neurodegenerative diseases that affect humans and animals.Rabbit is one of the several mammalian species reported to be resistant to infection from prion diseases.In this research,molecular dynamics（MD） and steered molecular dynamics（SMD） simulations were combined to study the stability of rabbit prion protein（rPrPc）.The dynamics characteristics of the key secondary structures and the anisotropic resistance of external forces of rPrPc were revealed.Furthermore,the structural stability of rPrPc was confirmed with structural convergence and rigidity distribution based on the simulations. |
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| Keywords: | rabbit prion protein（rPrPc） structural stability molecular dynamics（MD） simulation steered molecular dynamics（SMD） simulation |
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