Behavior of Bilayer Leaflets in Asymmetric Model Membranes: Atomistic Simulation Studies

Atomistic Monte Carlo Simulation of Lipid Membranes

Biological membranes are complex assemblies of many different molecules of which analysis demands a variety of experimental and computational approaches. In this article, we explain challenges and advantages of atomistic Monte Carlo (MC) simulation of lipid membranes. We provide an introduction into the various move sets that are implemented in current MC methods for efficient conformational sa...

Nanosized Bilayer Disks as Model Membranes for Interaction Studies

Computer simulation studies of model biological membranes.

This Account is focused on computer simulation studies of model biological membrane systems with potential applications in biomedical research. In the past decade, classical molecular dynamics has provided novel insights into the properties of model biomembrane systems, including the nature of the DNA-lipid interactions, the effect of pore-forming transmembrane peptides on the lipid environment...

Charged bilayer membranes in asymmetric ionic solutions: phase diagrams and critical behavior.

We consider the phase separation in an asymmetrically charged lipid bilayer membrane consisting of neutral and negatively charged lipids that are in contact with in and out ionic solutions having different ionic strengths. The two asymmetric leaflets are coupled through electrostatic interactions. Based on a free-energy approach, the critical point and phase diagrams are calculated for differen...

Engineering Lipid Bilayer Membranes for Protein Studies

Lipid membranes regulate the flow of nutrients and communication signaling between cells and protect the sub-cellular structures. Recent attempts to fabricate artificial systems using nanostructures that mimic the physiological properties of natural lipid bilayer membranes (LBM) fused with transmembrane proteins have helped demonstrate the importance of temperature, pH, ionic strength, adsorpti...