CONFORMATION AND DYNAMICS OF A CYCLIC (1-]2)-BETA-D-GLUCAN

被引：26

作者：

ANDRE, I ^{[1
]}

MAZEAU, K ^{[1
]}

TARAVEL, FR ^{[1
]}

TVAROSKA, I ^{[1
]}

机构：

[1] SLOVAK ACAD SCI, INST CHEM, BRATISLAVA 84238, SLOVAKIA

来源：

INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES | 1995年 / 17卷 / 3-4期

关键词：

CYCLOSOPHORAN; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; MOLECULAR MODELING;

D O I：

10.1016/0141-8130(95)92685-J

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：

A molecular modelling and nuclear magnetic resonance spectroscopic study was performed in order to gain insight into the conformational preferences of cyclosophoroheptadecaose. MM3 molecular mechanics calculations predicted a non-symmetric conformer with a small cavity of 3.7 Angstrom diameter as the lowest energy form. Molecular dynamics simulations gave insight into the dynamics of the free cyclosophoroheptadecaose and also supported the results of molecular mechanics calculations. A fair agreement was found between experimental data and corresponding average values predicted by molecular modelling.

引用

页码：189 / 198

页数：10

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