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 …

Computational modeling of biological systems is challenging because of the multitude of
spatial and temporal scales involved. Replacing atomistic detail with lower resolution …

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 …

The Gaussian curvature modulus κ¯ of lipid bilayers likely contributes more than 100
kcal/mol to every cellular fission or fusion event. This huge impact on membrane remodeling …

Local stress fields are routinely computed from molecular dynamics trajectories to
understand the structure and mechanical properties of lipid bilayers. These calculations can …

Coarse-grained (CG) models parametrized using atomistic reference data, ie,“bottom up”
CG models, have proven useful in the study of biomolecules and other soft matter. However …

Coarse-grained (CG) molecular models are now widely used to understand the structure
and functionality of macromolecular self-assembling systems. In the last few years …

The physiological properties of biological soft matter are the product of collective
interactions, which span many time and length scales. Recent computational modeling …

We present a systematic methodology to develop highly coarse-grained (CG) lipid models
for large scale biomembrane simulations, in which we derive CG interactions using a …

In this work we present the coupling between Dry Martini, an efficient implicit solvent coarse-
grained model for lipids, and the Lattice Boltzmann Molecular Dynamics (LBMD) simulation …