Dynamic Density Functional Theory of Multicomponent Cellular Membranes

We present a continuum model derived from molecular dynamics (MD) simulations for cellular membranes composed of an arbitrary number of lipid species. The model is formulated within the framework of dynamic density functional theory (DDFT) and can be systematically extended to incorporate membrane deformations and protein inclusions. This approach enables simulations that access micron-scale length scales and second-scale dynamics, all while maintaining high fidelity to the underlying molecular interactions. These spatiotemporal scales are critical for capturing biologically relevant processes such as signal transduction and membrane organization. As applications, we investigate the membrane-mediated interactions of two classes of biologically important proteins: RAS-RAF complexes, which are implicated in approximately 30% of human cancers, and G protein-coupled receptors (GPCRs), key players in cellular signaling.