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Lipid nanoparticles (LNPs) have been used as carriers for messenger RNA (mRNA) based therapeutics. The composition of a typical LNP includes an ionizable amino lipids, phospholipids, cholesterols and PEG-lipids. Each component is critical for the performance of the LNP delivery system; however, to optimize the LNPs for mRNA delivery, a deeper understanding of the interactions between the delivery and cargo is necessary. Here, we study in silico how three model ternary bilayers, each consisting of DSPC, cholesterol and a unique ionizable amino lipid, interact with a short RNA hairpin. Each of the model lipid bilayers have different types of ionizable amino lipids in them and they are similar in composition in all other aspects. Thus, we systematically investigate the role of ionizable amino lipids, the key component that drives the assembly and modulates the performance of LNPs, using all-atom molecular …