Molecular Dynamics Simulation of Glucomannan Solution

被引：18
|
作者：
PANG Jie a b SUN YuJinga GUAN YongGuang a ZHU YingDongc TIAN ShiPingb a College of Food Science Fujian Agriculture and Forestry University Fuzhou Fujian China b Key Laboratory of Photosynthesis and Environmental Molecular Physiology Institute of Botany The Chinese Academy of Sciences Beijing China c College of Information and Computer Fujian Agriculture and Forestry University Fuzhou Fujian China [350002 ,100093 ,350002 ]
机构：
来源：
结构化学 | 2005年 / 07期
关键词：
D O I：
暂无
中图分类号：
O636.1 [高分子多聚糖];
学科分类号：
摘要：
The method of molecular dynamics simulation is carried out to simulate the KGM segment in solution, investigate the stable conformation and compute its energy, and discuss the effect of the change of hydrogen bond on its structure and energy. The results show that the structure of KGM segment can be optimized by molecular simulation method and the most stable conformation can be found, indicating the hydrogen bond is the main factor influencing the conformation and property of KGM.
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页码：841 / 845+740 +740
页数：6
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