Large-scale computational molecular models provide scientists a means to investigate the
effect of microscopic details on emergent mesoscopic behavior. Elucidating the relationship …

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 …

The coarse-grained Martini force field is widely used in biomolecular simulations. Here we
present the refined model, Martini 3 (http://cgmartini. nl), with an improved interaction …

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 …

Biological membranes are tricky to investigate. They are complex in terms of molecular
composition and structure, functional over a wide range of time scales, and characterized by …

Non-communicable diseases (NCDs) such as cancer, diabetes, and chronic respiratory and
cardiovascular diseases continue to be threatening and deadly to human kind. Resistance …

The recent re‐parametrization of the Martini coarse‐grained force field, Martini 3, improved
the accuracy of the model in predicting molecular packing and interactions in molecular …

The computational and conceptual simplifications realized by coarse-grain (CG) models
make them a ubiquitous tool in the current computational modeling landscape. Building …

Lipid bilayers can exhibit asymmetric states, in which the physical characteristics of one
leaflet differ from those of the other. This most visibly manifests in a different lipid …

The molecular details involved in the folding, dynamics, organization, and interaction of
proteins with other molecules are often difficult to assess by experimental techniques …