MDAnalysis (http://mdanalysis. org) is a library for structural and temporal analysis of molecular
dynamics (MD) simulation trajectories and individual protein structures. MD simulations …

The detailed organization of cellular membranes remains rather elusive. Based on large-scale
molecular dynamics simulations, we provide a high-resolution view of the lipid …

An increasing amount of information on the action of antimicrobial peptides (AMPs) at the
molecular level has not yet been translated into a comprehensive understanding of effects in …

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 …

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 introduce an …

Cell membranes contain hundreds of different proteins and lipids in an asymmetric
arrangement. Our current understanding of the detailed organization of cell membranes remains …

The potential of antimicrobial peptides (AMPs) as an alternative to conventional therapies is
well recognized. Insights into the biological and biophysical properties of AMPs are thus key …

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

Synapses are often far from their cell bodies and must largely independently cope with
dysfunctional proteins resulting from synaptic activity and stress. To identify membrane-…

Ceramides draw wide attention as tumor suppressor lipids that act directly on mitochondria
to trigger apoptotic cell death. However, molecular details of the underlying mechanism are …