Spatial distribution functions as a tool in the analysis of ribonucleic acids hydration - molecular dynamics studies

被引：19

作者：

Kulinska, K

Kulinski, T

Lyubartsev, A

Laaksonen, A

Adamiak, RW

机构：

[1] Polish Acad Sci, Inst Bioorgan Chem, PL-61704 Poznan, Poland

[2] Univ Stockholm, Arrhenius Lab, Div Phys Chem, S-10691 Stockholm, Sweden

来源：

COMPUTERS & CHEMISTRY | 2000年 / 24卷 / 3-4期

关键词：

molecular dynamics simulation; ribonucleic acids; hydration; spatial distribution function (SDF); radial distribution function (RDF);

D O I：

10.1016/S0097-8485(99)00085-6

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The spatial distribution functions (SDFs) determined as three-dimensional density distribution of hydrogen and oxygen atoms of water in a local coordinate system linked with RNA molecule are used to study details of the spatial structure of aqueous solution around selected parts of RNA duplexes: r(CGCGCG)(2) and 2'-O-Me(CGCGCG)(2). The influence of the 2'-O-methylation on the hydration pattern of RNA helical fragments is visualized at the atomic level. (C) 2000 Elsevier Science Ltd. All rights reserved.

引用

页码：451 / 457

页数：7

共 21 条

[1] Crystal structure of 2'-O-Me(CGCGCG)(2), an RNA duplex at 1.30 angstrom resolution. Hydration pattern of 2'-O-methylated RNA [J].