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dc.date.accessioned2019-12-08T19:38:11Z
dc.date.available2019-12-08T19:38:11Z
dc.date.created2019-01-10T16:21:45Z
dc.date.issued2018
dc.identifier.citationPeltzer, Raphael Mathias Kolli, Hima Bindu Stocker, Achim Cascella, Michele . Self-assembly of alpha-tocopherol transfer protein nanoparticles: a patchy-protein model. Journal of Physical Chemistry B. 2018, 122, 7066-7072
dc.identifier.urihttp://hdl.handle.net/10852/71403
dc.description.abstractWe describe the mechanism of self-aggregation of α-tocopherol transfer protein into a spherical nanocage employing Monte Carlo simulations. The protein is modeled by a patchy coarse-grained representation, where the protein–protein interfaces, determined in the past by X-ray diffraction, are represented by simplified two-body interaction potentials. Our results show that the oligomerization kinetics proceeds in two steps, with the formation of metastable trimeric units and the subsequent assembly into the spherical aggregates. Data are in agreement with experimental observations regarding the prevalence of different aggregation states at specific ambient conditions. Finally, our results indicate a route for the experimental stabilization of the trimer, crucial for the understanding of the physiological role of such aggregates in vitamin E body trafficking.
dc.languageEN
dc.publisherACS Publications
dc.titleSelf-assembly of alpha-tocopherol transfer protein nanoparticles: a patchy-protein model
dc.typeJournal article
dc.creator.authorPeltzer, Raphael Mathias
dc.creator.authorKolli, Hima Bindu
dc.creator.authorStocker, Achim
dc.creator.authorCascella, Michele
cristin.unitcode185,15,12,59
cristin.unitnameTeoretisk kjemi
cristin.ispublishedtrue
cristin.fulltextpostprint
cristin.qualitycode2
dc.identifier.cristin1654408
dc.identifier.bibliographiccitationinfo:ofi/fmt:kev:mtx:ctx&ctx_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.jtitle=Journal of Physical Chemistry B&rft.volume=122&rft.spage=7066&rft.date=2018
dc.identifier.jtitleJournal of Physical Chemistry B
dc.identifier.volume122
dc.identifier.startpage7066
dc.identifier.endpage7072
dc.identifier.doihttps://doi.org/10.1021/acs.jpcb.8b05936
dc.identifier.urnURN:NBN:no-74515
dc.type.documentTidsskriftartikkel
dc.type.peerreviewedPeer reviewed
dc.source.issn1520-6106
dc.identifier.fulltextFulltext https://www.duo.uio.no/bitstream/handle/10852/71403/2/Ms_peltzer.pdf
dc.type.versionAcceptedVersion


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