Contact pairs of RNA with magnesium ions-electrostatics beyond the Poisson-Boltzmann equation.

ABSTRACT: The electrostatic interaction of RNA with its aqueous environment is most relevant for defining macromolecular structure and biological function. The attractive interaction of phosphate groups in the RNA backbone with ions in the water environment leads to the accumulation of positively charged ions in the first few hydration layers around RNA. Electrostatics of this ion atmosphere and the resulting ion concentration profiles have been described by solutions of the nonlinear Poisson-Boltzmann equation and atomistic molecular dynamics (MD) simulations. Much less is known on contact pairs of RNA phosphate groups with ions at the RNA surface, regarding their abundance, molecular geometry, and role in defining RNA structure. Here, we present a combined theoretical and experimental study of int

SUBMITTER: Fingerhut BP 

PROVIDER: S-EPMC8715182 | biostudies-literature | 2021 Dec

REPOSITORIES: biostudies-literature