Spatial distribution functions as a tool in the analysis of ribonucleic acids hydration--molecular dynamics studies.
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.
Kulińska
K
K
Institute of Bioorganic Chemistry, Polish Academy of Sciences, Poznań. kasiak@ibch.poznan.pl
Kuliński
T
T
Lyubartsev
A
A
Laaksonen
A
A
Adamiak
R W
RW
D020029:Base Pairing; D017665:Hydroxyl Radical; D008745:Methylation; D008958:Models, Molecular; D009690:Nucleic Acid Conformation; D010100:Oxygen / Q000737:chemistry; D012313:RNA / Q000737:chemistry*; D014867:Water / Q000737:chemistry
D014867:Water; D017665:Hydroxyl Radical; D012313:RNA; D010100:Oxygen