Solvent-induced DNA conformational transition

被引：41

作者：

Gu, B. ^{[1
,2
]}

Zhang, F. S. ^{[1
,2
,3
]}

Wang, Z. P. ^{[1
,2
]}

Zhou, H. Y. ^{[1
,2
]}

机构：

[1] Beijing Normal Univ, Inst Low Energy Nucl Phys, Minist Educ, Key Lab Beam Technol & Mat Modificat, Beijing 100875, Peoples R China

[2] Beijing Radiat Ctr, Beijing 100875, Peoples R China

[3] Natl Lab Heavy Ion Accelerator Lanzhou, Ctr Theoret Nucl Phys, Lanzhou 730000, Peoples R China

来源：

PHYSICAL REVIEW LETTERS | 2008年 / 100卷 / 08期

关键词：

D O I：

10.1103/PhysRevLett.100.088104

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

Modified water models with scaled charges are used to investigate solvent polarity effects on DNA structure. Several intensive molecular dynamics simulations of the DNA EcoRI dodecamer d(CGCGAATTCGCG) in different model solvents are performed. When the polarity of the solvent molecule decreases, from overpolarized to less polarized, DNA experiences the conformational transitions of constrained -> B form ->(A-B)mix -> A form. We demonstrate that one important cause of these structure changes is the competition between hydration and direct cation coupling to the free oxygen atoms in the phosphate groups on DNA backbones.

引用

页数：4

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