Ab initio study of stacking interactions in A- and B-DNA

被引：77

作者：

Alhambra, C

Luque, FJ

Gago, F

Orozco, M

机构：

[1] UNIV BARCELONA, FAC FARM, DEPT FARM, UNITAT FIS QUIM, E-08028 BARCELONA, SPAIN

[2] UNIV BARCELONA, FAC QUIM, DEPT BIOQUIM & BIOL MOL, E-08028 BARCELONA, SPAIN

[3] UNIV ALCALA DE HENARES, DEPT FISIOL & FARMACOL, MADRID 28871, SPAIN

来源：

JOURNAL OF PHYSICAL CHEMISTRY B | 1997年 / 101卷 / 19期

关键词：

D O I：

10.1021/jp962626a

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

High level ab initio methods have been used to study stacking interactions in standard A- and B-DNA, as well as in selected B-type crystal structures. A combination of quantum mechanical and classical mechanical methods has been used to examine cooperative contributions to stacking in DNA polymers. The results provide valuable information on intrastrand, interstrand, and cooperative contributions to stacking in DNA, and are useful for understanding the role of stacking interactions in the stabilization of DNA structures.

引用

页码：3846 / 3853

页数：8

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