Two decades of Martini: Better beads, broader scope

The Martini model, a coarse-grained force field for molecular dynamics simulations, has been around nearly two decades. Originally developed lipid-based systems by the groups of Marrink and Tieleman, model over years extended as community effort to current level general-purpose field. Apart from obvious benefit reduction in computational cost, popularity is largely due systematic yet intuitive building-block approach that underlies well open nature development its continuous validation. easy implementation widely used Gromacs software suite also instrumental. Since conception 2002, underwent gradual refinement bead interactions widening scope applications. In this review, we look back at development, culminating with release 3 version 2021. power illustrated key examples recent important findings biological material sciences enabled Martini, areas where resolution essential, namely high-throughput applications, large complexity, simulations approaching scale whole cells. This article categorized under: Software > Molecular Modeling Statistical Mechanics Dynamics Monte-Carlo Methods Structure Mechanism Computational Materials Science Biochemistry Biophysics