Coarse Grained Simulation Of Interaction Between Nanoparticles And Vesicles

It is interesting and valuable to study the interactions between nanoparticles and cell membrane with the possible understanding of drug delivery process.Here,we study nanoparticles with various shapes and charges interacting with negatively-charged vesicles via coarse-grained molecular dynamic simulations.We found that the nanoparticles can cause the collapse and budding of vesicles.The cooperative behaviors of nanoparticles can promote the formation of hierarchical structure of vesicles,and lead to their further collapse.By calculating the density distribution of nanoparticles and lipids,we found that the ellipsoidal nanoparticles induce the denser distribution of lipids around the center of mass of the vesicle.In addition,we investigated the dynamical behavior of vesicle collapse,and found that a quick collapse of vesicles occurs when adding a proper number of nanoparticles into systems.