STABILIZATION OF HELICES IN GLYCINE AND ALANINE DIPEPTIDES IN A REACTION FIELD MODEL OF SOLVENT

被引：80

作者：

SHANG, HS ^{[1
]}

HEADGORDON, T ^{[1
]}

机构：

[1] UNIV CALIF BERKELEY LAWRENCE BERKELEY LABS, DIV LIFE SCI, BERKELEY, CA 94720 USA

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1994年 / 116卷 / 04期

关键词：

D O I：

10.1021/ja00083a042

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

We present molecular orbital calculations of the full conformational space of blocked glycine and alanine dipeptide in the presence of a reaction field representation of water. Secondary structures of right- and left-handed helices are found, in contrast to recent gas-phase results, indicating that the origin of helical stabilization in dipeptides is strictly due to environment. Limitations of the reaction field model and the various implications of stabilization due to environment are discussed.

引用

页码：1528 / 1532

页数：5

共 43 条

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