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A Lyubartsev

Publications and source records attributed to A Lyubartsev.

2 recordsLinked to original sources

Effective macroion-macroion potentials in asymmetric electrolytes.

Effective macroion-macroion potentials in solutions of macroions carrying 60 elementary charges and either monovalent or divalent counterions have been calculated at different concentrations by means of Monte Carlo simulations with a consequent inversion of radial distribution functions according to Lyubartsev and Laaksonen [Phys. Rev. E 52, 3730 (1995)]. With monovalent counterions, the effective potentials are essentially of a Yukawa type, whereas with divalent ones, an attractive region appears at short separation. A charge renormalization scheme invoking the cell model and the assumption of a Yukawa-type potential works favorably only in the case of monovalent counterions.

Biophysical Phenomena↗

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.

Base Pairing↗