DNA与B-PDEAEA自组装过程的分子动力学模拟

doi:10.7523/j.issn.2095-6134.2018.04.010

中国科学院大学学报 ›› 2018, Vol. 35 ›› Issue (4): 487-491.DOI: 10.7523/j.issn.2095-6134.2018.04.010

DNA与B-PDEAEA自组装过程的分子动力学模拟

黄须啟, 李晓毅

中国科学院大学材料科学与光电技术学院, 北京 100049

收稿日期:2017-04-10 修回日期:2017-05-19 发布日期:2018-07-15
通讯作者: 李晓毅
基金资助:
国家自然科学基金（21274164）和973项目（2014CB931900）资助

Molecular dynamics simulation of self-assembly process of DNA and B-PDEAEA

HUANG Xuqi, LI Xiaoyi

College of Materials Science and Opto-electronics Technology, University of Chinese Academy of Sciences, Beijing 100049, China

Received:2017-04-10 Revised:2017-05-19 Published:2018-07-15

摘要/Abstract

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。

关键词: DNA, 自组装, 分子动力学模拟

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.

Key words: DNA, self-assembly, molecular dynamics simulation

中图分类号:

O642

黄须啟, 李晓毅. DNA与B-PDEAEA自组装过程的分子动力学模拟[J]. 中国科学院大学学报, 2018, 35(4): 487-491.

HUANG Xuqi, LI Xiaoyi. Molecular dynamics simulation of self-assembly process of DNA and B-PDEAEA[J]. , 2018, 35(4): 487-491.

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DNA与B-PDEAEA自组装过程的分子动力学模拟

Molecular dynamics simulation of self-assembly process of DNA and B-PDEAEA

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