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Model simulations of the adsorption of statherin to solid surfaces: Effects of surface charge and hydrophobicity
Malmö högskola, Faculty of Health and Society (HS).ORCID iD: 0000-0002-8639-9993
2008 (English)In: Journal of Chemical Physics, ISSN 0021-9606, E-ISSN 1089-7690, Vol. 129, no 18, article id 185101Article in journal (Refereed) Published
Abstract [en]

The structural properties of the salivary protein statherin upon adsorption have been examined using a coarse-grained model and Monte Carlo simulation. A simple model system with focus on electrostatic interactions and short-ranged attractions among the uncharged amino acids has been used. To mimic hydrophobically modified surfaces, an extra short-ranged interaction was implemented between the amino acids and the surface. It has been shown that the adsorption and the thickness of the adsorbed layer are determined by (i) the affinity for the surface, i.e., denser layer with an extrashort-ranged potential, and (ii) the distribution of the charges along the chain. If all the amino acids have a high affinity for the surface, the protein adsorbs in a train conformation, if the surface is negatively charged the protein adsorbs in a tail-train conformation, whereas if the surface is positively charged the protein adsorbs in a loop conformation. The latter gives rise to a more confined adsorbed layer. ©2008 American Institute of Physics

Place, publisher, year, edition, pages
2008. Vol. 129, no 18, article id 185101
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Natural Sciences
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URN: urn:nbn:se:mau:diva-4983DOI: 10.1063/1.3002317ISI: 000260944300052PubMedID: 19045429Scopus ID: 2-s2.0-56349169061Local ID: 6829OAI: oai:DiVA.org:mau-4983DiVA, id: diva2:1401818
Available from: 2020-02-28 Created: 2020-02-28 Last updated: 2025-01-17Bibliographically approved

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Skepö, Marie

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