The Martini model, a coarse‐grained force field for molecular dynamics simulations, has
been around for nearly two decades. Originally developed for lipid‐based systems by the …

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 …

Since the classical molecular dynamics simulator LAMMPS was released as an open source
code in 2004, it has become a widely-used tool for particle-based modeling of materials at …

By focusing on essential features, while averaging over less important details, coarse-
grained (CG) models provide significant computational and conceptual advantages with …

We present an improved and extended version of our coarse grained lipid model. The new
version, coined the MARTINI force field, is parametrized in a systematic way, based on the …

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 …

Existing texts on the statistical mechanics of liquids treat only spherical molecules. However,
nearly all fluids of practical interest are composed of non-spherical molecules that are often …

A new simulation method, dissipative particle dynamics, is applied to model biological
membranes. In this method, several atoms are united into a single simulation particle. The …

A new approach is presented for obtaining coarse-grained (CG) force fields from fully
atomistic molecular dynamics (MD) trajectories. The method is demonstrated by applying it …

In this review, we describe and analyze a mesoscale simulation method for fluid flow, which
was introduced by Malevanets and Kapral in 1999, and is now called multi-particle collision …