| 纤维素二级结构的分子动力学模拟 |
| |
| 引用本文： | 吴帅,占海艺,王红明,居燕. 纤维素二级结构的分子动力学模拟[J]. 化学物理学报, 2012, 25(2): 191-198 |
| |
| 作者姓名： | 吴帅 占海艺 王红明 居燕 |
| |
| 作者单位： | 南昌大学高等研究院，南昌330031;南昌工程学院，南昌330031;南昌大学高等研究院，南昌330031;南昌大学高等研究院，南昌330031 |
| |
| 基金项目： | The work was supported by the National Natu-ral Science Foundation of China (No.21103082 and No.10947171). Hong-ming Wang also thanks the β-nance support by Nanchang University. |
| |
| 摘 要： | ![]()
运用分子动力学模拟的方法，详细研究了ˉ-纤维素的二级结构.随着糖链数量的增加，纤维素也变成螺旋型结构. 当糖链数量为6、24和36时，纤维素的结构为右手螺旋. 但是，当糖链数量为8、12、16，时，纤维素的结构为左手螺旋. 计算还表明，当糖链数量为36时，结构最稳定.
|
| 关 键 词： | β-纤维素，粗粒度模型，二级结构，分子动力学 |
| 收稿时间： | 2011-12-27 |
Secondary Structure Analysis of Native Cellulose by Molecular Dynamics Simulations with Coarse-Grained Model |
| |
| Shuai Wu,Hai-yi Zhan,Hong-ming Wang and Yan Ju. Secondary Structure Analysis of Native Cellulose by Molecular Dynamics Simulations with Coarse-Grained Model[J]. Chinese Journal of Chemical Physics, 2012, 25(2): 191-198 |
| |
| Authors: | Shuai Wu Hai-yi Zhan Hong-ming Wang Yan Ju |
| |
| Affiliation: | Institute for advanced study, department of chemistry, Nanchang University, Nanchang 330031, China;Nanchang Institute of Technology, Nanchang University, Nanchang 330031, China;Institute for advanced study, department of chemistry, Nanchang University, Nanchang 330031, China;Institute for advanced study, department of chemistry, Nanchang University, Nanchang 330031, China |
| |
| Abstract: | ![]()
|
| |
| Keywords: | |
|
| 点击此处可从《化学物理学报》浏览原始摘要信息 |
|
点击此处可从《化学物理学报》下载全文 |
|
