期刊
EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS
卷 33, 期 8, 页码 671-682出版社
SPRINGER
DOI: 10.1007/s00249-004-0410-7
关键词
cation-DNA interactions; polyelectrolytes; putrescine; spermidine; spermine
类别
Four different molecular dynamics (MD) simulations have been performed for infinitely long ordered DNA molecules with different counterions. namely the two natural polyamines spermidine(3+) (Spd(3+)) and putrescine(2+) (Put(2+)) the synthetic polyamine diaminopropane(2+) (DAP(2+)), and the simple monovalent cation Na+. All systems comprised a periodical hexagonal cell with three identical DNA decamers, 15 water molecules per nucleotide, and counterions balancing the DNA charge. The simulation setup mimics the DNA state in oriented DNA fibers, previously studied using NMR and other experimental methods. In this paper the interplay between polyamine binding and local DNA structure is analyzed by investigating how and if the minor groove width of DNA depends on the presence and dynamics of the counterions. The results of the MID simulations reveal principal differences in the polyamine-DNA interactions between the natural [spermine(4+), Spd(3+), Put(2+)] and the synthetic (DAP(2+)) polyamines.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据