Electrostatic investigation of metal cation binding to DNA bases and base pairs

被引：24

作者：

Gadre, SR ^{[1
]}

Pundlik, SS

Limaye, AC

Rendell, AP

机构：

[1] Univ Pune, Dept Chem, Pune 411007, Maharashtra, India

[2] Australian Natl Univ, Supercomp Facil, Canberra, ACT 0200, Australia

来源：

CHEMICAL COMMUNICATIONS | 1998年 / 05期

关键词：

D O I：

10.1039/a708372f

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Various binding sites in DNA bases and base pairs as predicted by rigorous analysis of the molecular electrostatic potential (MESP) are explored for coordination with Li+ and Ca2+ cations; the electrostatics is generally seen to provide an explanation for the observed trends in binding upon subjecting the anticipated structures to optimization at a high level ab initio theory.

引用

页码：573 / 574

页数：2

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