Coarse-grained (CG) models can provide computationally efficient and conceptually simple
characterizations of soft matter systems. While generic models probe the underlying physics …

We provide an overview of the Adaptive Resolution Simulation method (AdResS) based on
discussing its basic principles and presenting its current numerical and theoretical …

Background Transfer of noncoding microRNAs (miRNAs) by extracellular vesicles (EVs)
promotes the development of chemoresistance in many tumor types. Additionally, restoration …

This article reviews recent progress in the computer simulation of liquid crystals at the
molecular level. It covers the use of simple rigid-body models of the constituent molecules …

This article aims to stimulate research on non‐equilibrium macromolecular systems, as
nowadays a large toolbox to synthesize tailored macromolecules is available. A large variety …

Room-temperature ionic liquids (RTILs) stand out among molecular liquids for their rich
physicochemical characteristics, including structural and dynamic heterogeneity. The …

A coarse-grained model comprising short-and long-range effective potentials, parametrized
with the iterative Boltzmann inversion (IBI) method, is presented for capturing micelle …

The effects of coarse-graining on the thermodynamic properties of molecular liquids are
studied by computing the standard molar entropies of chloroform, 1, 4-dioxane and …

The enormous number of atoms in biological and macromolecular systems can prohibit the
direct application of atomistic molecular dynamics (MD) simulations. This limitation motivates …