Inter-DNA electrostatics from explicit solvent molecular dynamics simulations

被引：51

作者：

Savelyev, Alexey ^{[1
]}

Papoian, Garegin A. ^{[1
]}

机构：

[1] Univ N Carolina, Dept Chem, Chapel Hill, NC 27599 USA

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 2007年 / 129卷 / 19期

关键词：

D O I：

10.1021/ja070207t

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Electrostatic repulsion between two DNA molecules, computed from explicit water-free energy simulations, is screened stronger by Na+ counterions than K+ counterions. An effective electrostatic potential was constructed for a coarse-grained model, where each base pair is represented by a bead.

引用

页码：6060 / +

页数：3

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