SOLVENT EFFECT ON THE CONFORMATION OF THE HYDROXYMETHYL GROUP ESTABLISHED BY MOLECULAR-DYNAMICS SIMULATIONS OF METHYL-BETA-D-GLUCOSIDE IN WATER

被引：90

作者：

KROONBATENBURG, LMJ

KROON, J

机构：

[1] Laboratorium voor Kristal-en Structuurchemie, Rijksuniversiteit te Utrecht, Utrecht, 3584 CH

来源：

BIOPOLYMERS | 1990年 / 29卷 / 8-9期

关键词：

D O I：

10.1002/bip.360290813

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：

Molecular dynamics simulations of methyl‐β‐D‐glucoside in water are performed. Although the tg conformation of the hydroxymethylgroup is found to be the lowest in energy for the isolated molecule, it appears to be unstable in water. The well‐known absence of a significant amount of the tg conformation in polar solvents can therefore be explained as a solvent effect. Copyright © 1990 John Wiley & Sons, Inc.

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页码：1243 / 1248

页数：6

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