In this study, we used GROMACS, a versatile package for performing molecular dynamics to simulate the interactions between different nanoparticles and Dipalmitoyl PhosPhatidyl Choline (DPPC) to understand the physical mechanisms that govern the interactions between nanoparticles and lipid membrane. Our simulations show the responses of the lipid bilayer to the nanoparticles, including the formation of an adsorbent layer on the nanoparticle surface, transmembrane ectopic movements and inconspicuous endocytosis of the nanoparticle by the membrane. Effects of the size of the nanoparticles, structural shape and charge state on the interaction and transport processes will be examined and summarized.
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