Conformational analysis of two glycoproteins: A Monte Carlo simulated annealing approach using a soft-sphere potential

被引：5

作者：

Zhang, HY ^{[1
]}

Yang, YT ^{[1
]}

Lai, LH ^{[1
]}

Tang, YG ^{[1
]}

机构：

[1] BEIJING UNIV,INST CHEM PHYS,BEIJING 100871,PEOPLES R CHINA

来源：

CARBOHYDRATE RESEARCH | 1996年 / 284卷 / 01期

关键词：

glycoprotein; Monte Carlo; simulated annealing; conformation search;

D O I：

10.1016/0008-6215(96)00003-1

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

The Monte Carlo simulated annealing method was effectively used to predict the three-dimensional structure of the carbohydrate part of two glycoproteins: 1vsg and 2fbj from a protein data bank, utilizing a soft-sphere potential. The result was compared both to the crystal structure and to the structure of the corresponding isolated oligosaccharide structure simulated using an ECEPP/2 force field. A good agreement with crystal structure was reached. The interaction with the protein environment was found to significantly influence the structure of the carbohydrate moiety.

引用

页码：25 / 34

页数：10

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