Nanomaterials, have the ability to revolutionize current biomedical research in regards to the development of novel therapies, with applications ranging from drug delivery, diagnostics, to controlling specific biological process. Current research is aimed at tasks such as internalisation, cellular tagging and evasion. However the mechanisms that govern interactions between nanomaterials and biological systems, in particular cellular membranes, remain difficult to elucidate due to the complex dynamic nature of the lipid bilayer.
NPs offer a diverse number of alternate therapeutic options due to their the wide range of morphologies and attachable molecules, giving rise to unique interactions with biological systems. However each new therapeutic application necessitates a thorough understanding of the specific interactive mechanisms involved.
Our work primarily focuses on combining experimental atomic force microscopy (AFM) and computational molecular dynamics (MD) simulation methods to understand the atomistic interactions between ligand-capped AuNPs and model membranes (supported lipid bilayers) during the NP-membrane adsorption process. Combining techniques with opposing spatiotemporal scales allows for a more well rounded picture of the interaction. Furthermore adjustment of specific simulation parameters that mimic more realistic AuNP-ligand behaviour allows for a more accurate match with experimental AFM results. By altering various AuNP-membrane properties, such as membrane composition, or AuNP surface chemistry, their effects on specific adsorption mechanisms may be elucidated systematically.  
The methods utilised here can be adapted similarly for other NP-ligand-SLB systems to help aid in verifying their experimental AFM observations. As well as uncovering potential adsorption mechanisms via MD.