Coarse-grained model of adsorption of blood plasma proteins onto nanoparticles

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Title: Coarse-grained model of adsorption of blood plasma proteins onto nanoparticles
Authors: Lopez, Hender
Lobaskin, Vladimir
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Date: Dec-2015
Online since: 2017-04-06T16:02:47Z
Abstract: We present a coarse-grained model for evaluation of interactions of globular proteins with nanoparticles (NPs). The protein molecules are represented by one bead per aminoacid and the nanoparticle by a homogeneous sphere that interacts with the aminoacids via a central force that depends on the nanoparticle size. The proposed methodology is used to predict the adsorption energies for six common human blood plasma proteins on hydrophobic charged or neutral nanoparticles of different sizes as well as the preferred orientation of the molecules upon adsorption. Our approach allows one to rank the proteins by their binding affinity to the nanoparticle, which can be used for predicting the composition of the NP-protein corona. The predicted ranking is in good agreement with known experimental data for proteinadsorption on surfaces.
Funding Details: European Commission - Seventh Framework Programme (FP7)
Type of material: Journal Article
Publisher: AIP Publishing
Journal: Journal of Chemical Physics
Volume: 143
Issue: 24
Copyright (published version): 2015 AIP Publishing LLC
Keywords: ProteinsAdsorptionSurface chargeDouble layersFocused ion beam technology
DOI: 10.1063/1.4936908
Language: en
Status of Item: Peer reviewed
Appears in Collections:Physics Research Collection
CASL Research Collection

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