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
收藏
页码：573 / 574
页数：2
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