Investigating lipid bilayer self-assembly and formation of ripple phase: Insights from a coarse-grained implicit solvent model

Abstract

In this study, we present a comprehensive exploration of the formation of different phases in lipid molecules using a coarse-grained implicit solvent model, where each lipid molecule is presented as a rigid, three-bead, rod-like structure. Our study not only successfully replicates the spontaneous self-assembly of lipid bilayers but also elucidates the intricate phase transitions between the gel phase, the liquid phase, and the elusive ripple phase (Pβ). Specifically, we uncover the pivotal role of molecular rigidity in promoting the formation of the ripple phase. The significance of our findings lies in their potential to reshape our understanding of lipid bilayer dynamics and phase transitions. By shedding light on the ripple phase, a phase previously difficult to simulate convincingly, the insights gained from this study have the potential to guide future investigations into the behavior of biological membranes and their role in cellular processes.