Protein corona composition of poly(ethylene glycol)- and poly(phosphoester)-coated nanoparticles correlates strongly with the amino acid composition of the protein surface.
Giovanni SettanniJiajia ZhouTongchuan SuoSusanne SchöttlerKatharina LandfesterFriederike SchmidVolker MailänderPublished in: Nanoscale (2018)
Extensive molecular dynamics simulations reveal that the interactions between proteins and poly(ethylene glycol) (PEG) can be described in terms of the surface composition of the proteins. PEG molecules accumulate around non-polar residues while avoiding the polar ones. A solvent-accessible-surface-area model of protein adsorption accurately fits a large set of data on the composition of the protein corona of poly(ethylene glycol)- and poly(phosphoester)-coated nanoparticles recently obtained by label-free proteomic mass spectrometry.
Keyphrases
- amino acid
- molecular dynamics simulations
- label free
- mass spectrometry
- protein protein
- binding protein
- ionic liquid
- dna methylation
- molecular docking
- high resolution
- gene expression
- machine learning
- liquid chromatography
- deep learning
- electronic health record
- artificial intelligence
- simultaneous determination
- capillary electrophoresis