The accurate simulation of DNA and RNA has been a goal of theoretical biophysicists for a
number of years. That is, given a high-resolution experimental structure, or perhaps a …

Because of its unique properties, water drives many natural and biological processes. While
a detailed understanding of its precise role is still being unravelled, it is clear that the …

The environment plays a key role in the determination of the properties and reactivity of
substances in condensed phases. The complexity of chemical phenomena in solution has …

The electric polarizability of DNA, represented by the dielectric constant, is a key intrinsic
property that modulates DNA interaction with effector proteins. Surprisingly, it has so far …

Helices are essential building blocks of living organisms, be they molecular fragments of
proteins (α-helices), macromolecules (DNA and collagen), or multimolecular assemblies …

The dielectric constant of water confined in a nanodimensional spherical cavity is calculated
by means of molecular dynamics simulations. The simulations are carried out by using two …

Although water is often hailed as the lubricant of life, a detailed understanding of its role in
many chemical and biological processes still eludes us. In many natural systems, water is …

Counterions play a significant role in DNA structure and function, and molecular dynamics
(MD) simulations offer the prospect of detailed description of the dynamical structure of ions …

Label-free detection of the material composition of nanoparticles could be enabled by the
quantification of the nanoparticles' inherent dielectric response to an applied electric field …

Polyelectrolyte folding requires the proper ionic solution condition. It is essential to
understand how the ionic condition, such as ion concentration, ion size, and ion charges …