高等学校化学学报 ›› 1988, Vol. 9 ›› Issue (5): 529.

• 论文 • 上一篇    下一篇

胰岛素分子相互作用能的计算

邵俊1, 温元凯2, 李振民3   

  1. 1. 上海科学技术大学化学系;
    2. 中国科学技术大学化学系;
    3. 上海铁路局电子计算所
  • 收稿日期:1986-10-23 出版日期:1988-05-24 发布日期:1988-05-24
  • 通讯作者: 邵俊

The Calculation of the Interaction Between Insulin Molecules

Shao Jun1, Wen Yuankai2, Li Zhenmin3   

  1. 1. The University of Science and Technology of Shanghai, Shanghai;
    2. The University of Science and Technology of China, Hefei;
    3. The Electronic Computer Technical Centre of Shanghai Railway Bereau, Shanghai
  • Received:1986-10-23 Online:1988-05-24 Published:1988-05-24

摘要: 胰岛素分子间的相互作用是人们所关心的一个课题[1],它对探讨胰岛素及其类似物与受休的相互作用和它们在溶液中的行为有着重要的意义[2],本文在前文[3]工作的基础上,计算了两个胰岛素分子在不同距离和不同取向时的相互作用能,并试图对上述问题的研究提供线索。

关键词: 胰岛素, 分子相互作用能, 稳定平衡点

Abstract: On the basis of zero differential overlap and the monopole model, the interaction energies between two insulin molecules have been calculated when they get close each other. It is shown that the energy of the whole system decrease continually as two molecules approach at a definite direction. The energy decreases until the stable position is arrived, namely θ= 0°, d= -0.5Å. The calculated data are very similar to the position the crystal structure data present. If they are forced to close each other, the energy, especially the repulsive force will increase rapidly. The total interaction energy and its constitutes at different distance and orientation are analysed.

Key words: Insulin, Interaction energy, Stable position

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