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Understanding and modulating the competitive surface-adsorption of proteins through coarse-grained molecular dynamics simulations

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It is now well accepted that cellular responses to materials in a biological medium reflect greatly the adsorbed biomolecular layer, rather than the material itself. Here, we study by molecular dynamics simulations the competitive protein adsorption on a surface (Vroman effect), i.e. the non-monotonic behavior of the amount of protein adsorbed on a surface in contact with plasma as functions of contact time and plasma concentration. We find a complex behavior, with regimes during which small and large proteins are not necessarily competing between them, but are both competing with others in solution ("cooperative" adsorption). We show how the Vroman effect can be understood, controlled and inverted.

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Articles publicats en revistes (Física de la Matèria Condensada)

# metadata.dc.title[].value
Understanding and modulating the competitive surface-adsorption of proteins through coarse-grained molecular dynamics simulations