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.
引用
收藏
页码：841 / 845+740 +740
页数：6
相关论文
共 50 条
  • [31] Study of the Precrystallization Solution of Lysozyme by Accelerated Molecular Dynamics Simulation
    Ivanovsky, A. S.
    Garipov, I.
    Kordonskaya, Yu. V.
    Timofeev, V. I.
    Marchenkova, M. A.
    Pisarevsky, Yu. V.
    Dyakova, Yu. A.
    Kovalchuk, M. V.
    CRYSTALLOGRAPHY REPORTS, 2023, 68 (06) : 947 - 950
  • [32] A Molecular Dynamics Simulation of Au Nanoparticles Aggregation in ionic solution
    Lv, Xiaoxing
    Yue, Kai
    Lei, Qingchun
    Zhang, Xinxin
    PROCEEDINGS OF THE ASME SUMMER HEAT TRANSFER CONFERENCE - 2013, VOL 2, 2014,
  • [33] Molecular dynamics simulation of a decasaccharide fragment of heparin in aqueous solution
    Verli, H
    Guimaraes, JA
    CARBOHYDRATE RESEARCH, 2004, 339 (02) : 281 - 290
  • [34] Molecular dynamics simulation of the sodium octanoate micelle in aqueous solution
    de Moura, AF
    Freitas, LCG
    CHEMICAL PHYSICS LETTERS, 2005, 411 (4-6) : 474 - 478
  • [35] MOLECULAR-DYNAMICS SIMULATION OF A POLYMER-CHAIN IN SOLUTION
    DUNWEG, B
    KREMER, K
    JOURNAL OF CHEMICAL PHYSICS, 1993, 99 (09): : 6983 - 6997
  • [36] Molecular Dynamics Simulation of Diffusion of Vitamin C in Water Solution
    Zeng Jianping
    Wang Aimin
    Gong Xuedong
    Chen Jingwen
    Chen Song
    Xue Feng
    CHINESE JOURNAL OF CHEMISTRY, 2012, 30 (01) : 115 - 120
  • [37] Molecular Dynamics Simulation of Ion Sputtering of a Sodium Chloride Solution
    N. A. Sirotkin
    V. A. Titov
    High Energy Chemistry, 2018, 52 : 199 - 205
  • [38] Molecular dynamics simulation of micellar shape change in amphiphilic solution
    Fujiwara S.
    Itoh T.
    Hashimoto M.
    Tamura Y.
    Nakamura H.
    Horiuchi R.
    Plasma and Fusion Research, 2011, 6 (1 SPECIAL ISSUE)
  • [39] Molecular dynamics simulation of Gadolinium(III) complexes in aqueous solution
    Helm, L
    Yerly, F
    Borel, A
    Merbach, AE
    JOURNAL OF INORGANIC BIOCHEMISTRY, 2001, 86 (01) : 57 - 57
  • [40] MOLECULAR-DYNAMICS SIMULATION OF GALANIN IN AQUEOUS AND NONAQUEOUS SOLUTION
    DELOOF, H
    NILSSON, L
    RIGLER, R
    JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1992, 114 (11) : 4028 - 4035
12345