Cell membranes contain a large variety of lipid types and are crowded with proteins,
endowing them with the plasticity needed to fulfill their key roles in cell functioning. The …

Exosomes have emerged as a promising cell-free therapeutic approach. However,
challenges in large-scale production, quality control, and heterogeneity must be overcome …

This article describes the software suite GROMACS (Groningen MAchine for Chemical
Simulation) that was developed at the University of Groningen, The Netherlands, in the early …

For simulations of membranes and membrane proteins, the generation of the lipid bilayer is
a critical step in the setup of the system. Membranes comprising multiple components pose …

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 …

Exploring recent developments in the field, Coarse-Graining of Condensed Phase and
Biomolecular Systems examines systematic ways of constructing coarse-grained …

Coarse-grained (CG) models allow simulation of larger systems for longer times by
decreasing the number of degrees of freedom compared with all-atom models. Here we …

We describe computer simulations of pore formation and membrane rupture of phospholipid
bilayers under mechanical and electrical stress. On the nanosecond simulation time scale …

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

A new systematic approach to build coarse-grained (CG) molecular models for
surfactants/water systems is proposed. A step-by-step approach using several molecular …