The structure and function of biomolecules are strongly influenced by their hydration shells.
Structural fluctuations and molecular excitations of hydrating water molecules cover a broad …

The aversion of hydrophobic solutes for water drives diverse interactions and assemblies
across materials science, biology, and beyond. Here, we review the theoretical …

Szent-Győrgi called water the “matrix of life” and claimed that there was no life without it.
This statement is true, as far as we know, on our planet, but it is not clear whether it must …

Hydrodynamic properties are useful parameters for estimating the size and shape of
proteins and nucleic acids in solution. The calculation of such properties from structural …

This review describes selected basics of water in biomolecular recognition. We focus on a
qualitative understanding of the most important physical aspects, how these change in …

Molecular dynamics (MD) simulations are a powerful tool for detailed studies of altered
properties of liquids in confinement, in particular, of changed structures and dynamics. They …

The reorientation and hydrogen-bond dynamics of water molecules within the hydration
shell of a B-DNA dodecamer, which are of interest for many of its biochemical functions, are …

Computational modeling (CM) is a versatile scientific methodology used to examine the
properties and behavior of complex systems, such as polymeric materials for biomedical …

In this study, we examine the spectral dielectric properties of liquid water in charged
nanopores over a wide range of frequencies (0.3 GHz to 30 THz) and pore widths (0.3 to 5 …

The self-assembly of biological molecules is an important pathway to understanding the
molecular basis of complex metabolic events. The presence of a cosolvent in an aqueous …