Single-Point versus Multi-Point Mechanical Loading in Membrane Deformation: Insights from Molecular Dynamics Simulations

Cell membrane deformation is essential for key cellular functions such as endocytosis, yet the physical mechanisms governing membrane remodeling remain poorly understood. Here, we employ molecular dynamics simulations with an ultracoarse-grained mesoscopic membrane model to investigate force-driven membrane deformation at spatial scales relevant to endocytosis. Specifically, we compare the effects of localized single-point and distributed multipoint force loading modes on membrane deformation dynamics. Our simulations reveal that, under identical total force magnitudes, the multipoint mode drives significantly faster and more sustained deformation than the single-point mode. Moreover, the number of force points strongly influences the resulting membrane morphology, vesicle volume, and membrane bending energy changes, whereas the size of the force-loading region exerts only a modest effect. Together, these results provide a mechanical basis for understanding protein-mediated membrane remodeling.