Site binding of ions and water shapes nucleic acids folding, dynamics, and biological
function, complementing the more diffuse, nonspecific “territorial” ion binding. Unlike …

Salt-dependent electrostatic effects are a major factor in determining the stability, structure,
reactivity, and binding behavior of nucleic acids. Increasingly detailed theoretical methods …

The present report demonstrates that the conformational properties of DNA in solution are
sensitive to the type of monovalent ion. Results are based on the ability of a polarizable …

Nucleic acids are polyanionic molecules that were historically considered to be solely
surrounded by a shell of water molecules and a neutralizing cloud of monovalent and …

Binding modes of hydrated Zn2+ and Mg2+ cations to the N7 and O6 positions of guanine
have been characterized by state-of-the-art ab initio model calculations. We show how …

The composition of the ion atmosphere surrounding nucleic acids affects their folding,
condensation and binding to other molecules. It is thus of fundamental importance to gain …

The high charge density of nucleic acids and resulting ion atmosphere profoundly influence
the conformational landscape of RNA and DNA and their association with small molecules …

Over the past two decades, interests in DNA and RNA as drug targets have been growing
rapidly. Following the trends observed with protein drug targets, computational approaches …

Ions surround nucleic acids in what is referred to as an ion atmosphere. As a result, the
folding and dynamics of RNA and DNA and their complexes with proteins and with each …

The prevalence of Mg2+ ions in biology and their essential role in nucleic acid structure and
function has motivated the development of various Mg2+ ion models for use in molecular …