Opposing Effects of Multivalent Ions on the Flexibility of DNA and RNA

被引：52

作者：

Drozdetski, Aleksander V. ^{[1
]}

Tolokh, Igor S. ^{[2
]}

Pollack, Lois ^{[3
]}

Baker, Nathan ^{[4
,5
]}

Onufriev, Alexey V. ^{[1
,2
,6
]}

机构：

[1] Virginia Tech, Dept Phys, Blacksburg, VA 24061 USA

[2] Virginia Tech, Dept Comp Sci, Blacksburg, VA 24061 USA

[3] Cornell Univ, Sch Appl & Engn Phys, Ithaca, NY 14853 USA

[4] Pacific Northwest Natl Lab, Adv Comp Math & Data Div, Richland, WA 99352 USA

[5] Brown Univ, Div Appl Math, Providence, RI 02912 USA

[6] Virginia Tech, Ctr Soft Matter & Biol Phys, Blacksburg, VA 24061 USA

来源：

PHYSICAL REVIEW LETTERS | 2016年 / 117卷 / 02期

基金：

美国国家卫生研究院;

关键词：

MOLECULAR-DYNAMICS SIMULATIONS; DOUBLE-STRANDED-RNA; ELECTROSTATIC PERSISTENCE LENGTH; NUCLEIC-ACIDS; FORCE-FIELD; B-DNA; CONDENSATION; HELIX; SALT; POLYELECTROLYTES;

D O I：

10.1103/PhysRevLett.117.028101

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

Increasing the concentration of counterions (salt) is known to reduce the bending persistence length of DNA. Here we use atomistic molecular dynamics simulations to predict that multivalent counterions have the opposite effect on double-stranded RNA, increasing its bending rigidity by at least 30%. This counterintuitive effect is observed for various tri- and tetravalent ions alike, and is robust to methodological details and the RNA sequence. In contrast to DNA, multivalent counterions bind inside the RNA major groove, causing significant contraction of the molecule along its helical axis-as a result, its further deformation due to bending becomes energetically more expensive compared to bending without bound multivalent ions. Thus, the relationship between mechanical properties of a charged polymer and its ionic atmosphere may be richer than previously thought.

引用

页数：5

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