MemGen

MemGen generates multi-component lipid bilayer configurations for molecular dynamics (MD) simulations to model biologically realistic heterogeneous membranes.

Key Features:

• Versatility in Lipid Types: Constructs membranes from user-provided structure files, accommodating diverse amphiphilic molecules and lipid species.
• Compatibility with Force Fields: Supports all-atom and united-atom lipid representations and is compatible with multiple lipid force-field families for MD simulations.

Scientific Applications:

• Biophysical Studies: Enables investigation of structural and dynamic properties of heterogeneous lipid bilayers at atomic resolution.
• Drug Delivery Systems: Supports design and simulation of liposome membrane compositions for drug delivery research.
• Membrane Protein Interactions: Facilitates study of protein-lipid interactions within complex membrane environments during MD simulations.

Methodology:

Assembles simulation systems from user-provided structure files to customize multi-component lipid bilayers for molecular dynamics simulations.