A render of data from real molecular dynamics simulations. You’ve got a cholesterol molecule (light blue, centre) binding to the human glycine transporter 2 (grey) inside a messy mixture of flexible phospholipids (bright colours), and more rigid sterols (blue).
Photograph: Ada Quinn
Here's a 31 second video of MD simulation introduction with emphasis on long MD simulation to study the ligand binding behavior and stability of interactions.
@egonw This may shed some light:
Principles and Applications of Biological Membrane Organization
Many critical biological events, including biochemical signaling, membrane traffic, and cell motility, originate at membrane surfaces. Each such event requires that members of a specific group of proteins and lipids rapidly assemble together at a specific ...
earthling
Egon Willighagen