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Citation: Ye Yuan-Jie. On The Relationship Between the Electronic Structures and the Activities of Proteins——Theory and Calculation Method[J]. Acta Physico-Chimica Sinica, ;1991, 7(03): 257-259. doi: 10.3866/PKU.WHXB19910301 shu

On The Relationship Between the Electronic Structures and the Activities of Proteins——Theory and Calculation Method

Ye Yuan-Jie

1.
Department of Chemistry, Peking University, Beijing 100871

Received Date: 4 December 1990
Available Online: 15 June 1991

The Eigenequation is derived by the linear combination of unit orbitals approximation to calculate a protein entirely. The extended negative factor counting theorem is proved to solve above eigenequation. The concept of the "active orbitals" is introduced to analyse the calculated results. A series of insulins was calculated as the first application example of the theory and method.
- Proteins; Electronic structures and activities; Active orbitals; Insulin
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