Membrane lipids interact with proteins in a variety of ways, ranging from providing a stable
membrane environment for proteins to being embedded in to detailed roles in complicated …

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 …

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

Membrane lipid composition varies greatly within submembrane compartments, different
organelle membranes, and also between cells of different cell stage, cell and tissue types …

The coarse-grained Martini model is employed extensively to study membrane protein
oligomerization. While this approach is exceptionally promising given its computational …

When studying biological membranes, Molecular Dynamics (MD) simulations reveal to be
quite complementary to experimental techniques. Because the simulated systems keep …

Highlights•Simulations provide a computational tool to probe membrane structure and
dynamics.•Simulations can successfully predict lipid binding sites on membrane …

Structural properties of molecules are of primary concern in many fields. This report provides
a comprehensive overview on techniques that have been developed in the fields of …

Biological membranes (biomembranes) are one of the most complicated structures that
allow life to exist. Investigating their structure, dynamics, and function is crucial for advancing …

The Saffman-Delbrück hydrodynamic model for lipid-bilayer membranes is modified to
account for the periodic boundary conditions commonly imposed in molecular simulations …