A Molecular Dynamics Simulation Study on the Effect of Methanol on the Structural Characteristics of Lipid Bilayers

To further our understanding on the water permeation process through a lipid bilayer membrane in the presence of a commonly used cryoprotective agent (methanol), we performed detailed molecular dynamics simulation (MD) studies. The MD simulations analyzed the influence of methanol (12 mol %) on the structure of a fully hydrated dipalmitoylphosphatidylcholine (DPPC) in the fluid phase and under equilibrium conditions at 323K.