This review article focuses on the physiochemical mechanisms underlying nanoparticle
uptake into cells. When nanoparticles are in close vicinity to a cell, the interactions between …

Dissipative particle dynamics (DPD) is one of the most efficient mesoscale coarse-grained
methodologies for modeling soft matter systems. Here, we comprehensively review the …

Molecular modeling and simulations are invaluable tools for the polymer science and
engineering community. These computational approaches enable predictions and provide …

The self-assembly of amphiphilic molecules in solution is a ubiquitous process in both
natural and synthetic systems. The ability to effectively control the structure and properties of …

Fluid-structure interaction (FSI) is a class of mechanics-related problems with mutual
dependence between the fluid and structure parts and it is observable nearly everywhere, in …

This paper describes the parametrization of a new coarse grained (CG) model for lipid and
surfactant systems. Reduction of the number of degrees of freedom together with the use of …

Polymer vesicles prepared by self-assembly techniques have attracted increasing scientific
interest in recent years. This is as a result of their numerous potential applications such as …

Electrostatic interactions have been incorporated in dissipative particle dynamics (DPD)
simulation. The electrostatic field is solved locally on a grid. Within this formalism, local …

Combined experimental and computational studies of lipid membranes and liposomes, with
the aim to attain mechanistic understanding, result in a synergy that makes possible the …

This article presents a topical review of coarse grain simulation techniques. First, we
motivate these techniques with illustrative examples from biology and materials science …