DNA与B-PDEAEA自组装过程的分子动力学模拟 |
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作者姓名: | 黄须啟 李晓毅 |
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作者单位: | 中国科学院大学材料科学与光电技术学院, 北京 100049 |
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基金项目: | 国家自然科学基金(21274164)和973项目(2014CB931900)资助 |
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摘 要: | 通过分子动力学模拟,研究DNA/B-PDEAEA纳米颗粒的自组装过程。模拟结果表明,在自组装过程中静电相互作用是主要驱动力;在相同氮磷比的条件下,随着DNA碱基对数目的增加,更易于形成稳定的纳米颗粒。在相同碱基对数目的条件下,随着氮磷比的增加,更趋向于形成稳定的纳米颗粒。
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关 键 词: | DNA 自组装 分子动力学模拟 |
收稿时间: | 2017-04-10 |
修稿时间: | 2017-05-19 |
Molecular dynamics simulation of self-assembly process of DNA and B-PDEAEA |
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Authors: | HUANG Xuqi LI Xiaoyi |
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Institution: | College of Materials Science and Opto-electronics Technology, University of Chinese Academy of Sciences, Beijing 100049, China |
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Abstract: | The self-assemble processes of DNA/B-PDEAEA nanoparticles are investigated by means of molecular dynamics simulations. The simulation results show that the electrostatic interaction force is the main driving force for the self-assembly process. At the same N/P ratio,stable nanoparticles form easier when the number of DNA base pairs is larger. With the same number of base pairs, stable nanoparticles form easier at larger N/P ratio. |
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Keywords: | DNA self-assembly molecular dynamics simulation |
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