SIMONELLI , Federica

In this thesis we study the interactions of monolayer-protected gold nanoparticles with proteins and model lipid membranes. Gold nanoparticles are a paradigm in biological applications of nanomaterials, thanks to their peculiar physico-chemical properties; among these, the possibility to bind different kinds of molecules (ligands) to gold atoms...

The design of ligand-protected metal nanoparticles (NPs) with biomedical applications relies on the understanding, at the molecular level, of their interactions with cell membranes. Here we study, via unbiased coarse grained molecular dynamics simulations, the kinetics and the thermodynamics of the interaction between anionic ligand-protected...

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