The Calculation and Oomparision of the Main Chain of Insulin Molecules by CNDO/2 Method

Chem. J. Chinese Universities ›› 1989, Vol. 10 ›› Issue (2): 212.

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The Calculation and Oomparision of the Main Chain of Insulin Molecules by CNDO/2 Method

Shao Jun¹, Wu Ji'an², Wen Yuankai³, Li Zhenmin⁴

1. Shanghai University of Science and Technology, Shanghai;
2. Shanghai Institute of Materia Madica, Academia, Sinica, Shanghai;
3. China University of Science and Technology, Hefei;
4. The Electronic Computer Technical Centre of Shanghai Railway Bureau, Shanghai

Received:1987-07-14 Online:1989-02-24 Published:1989-02-24

Abstract

Abstract: Considering the importance of the secondary structure of protein, we altered the scheme of the calculation scheme of the main chain of insulin molecules by CNDO/2 method. Using the scheme of the non-peptide cutting we proposed, we calculated and compared the atomic charge distribution of the monomeric molecule Ⅰ and monomeric molecule Ⅱ in insulin's crystal. The results we obtained reflect the efforts of secondary structure of insulin molecule on its main chain's charge distribution.

Key words: Insulin, Conformation of the main chain, Non-peptide cutting, Charge distribution

TrendMD:

Shao Jun, Wu Ji'an, Wen Yuankai, Li Zhenmin. The Calculation and Oomparision of the Main Chain of Insulin Molecules by CNDO/2 Method[J]. Chem. J. Chinese Universities, 1989, 10(2): 212.

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The Calculation and Oomparision of the Main Chain of Insulin Molecules by CNDO/2 Method

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