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dc.contributor.authorCheung, David L.
dc.date.accessioned2020-11-04T10:21:19Z
dc.date.issued2020-08-28
dc.identifier.citationCheung, D. L. (2020). Effect of surface structure on peptide adsorption on soft surfaces. Chemical Physics Letters, 758, 137929. doi:https://doi.org/10.1016/j.cplett.2020.137929en_IE
dc.identifier.issn0009-2614
dc.identifier.urihttp://hdl.handle.net/10379/16260
dc.description.abstractUnderstanding protein adsorption onto material surfaces is a major challenge in the design of biomaterials. While this has been long studied, knowledge of how the nanoscale surface structure affects protein adsorption is still lacking. Using molecular dynamics simulations the effect of nanoscale structure, specifically alternating hydrophobic and hydrophilic stripes, on the adsorption of LK-peptides onto surfaces is investigated. Strongest adsorption is found for surfaces with larger hydrophobic regions, which allow the peptides to minimise unfavourable contacts with hydrophilic regions. This information may be used to understand the relationship between protein adsorption and surface structure, allowing for control over biocompatibility and anti-fouling behaviour.en_IE
dc.description.sponsorshipI wish to acknowledge the Latour research group (Clemson University) for providing downloadable SAM structures. This work was performed on computational facilities provided by the SFI/HEA Irish Centre for High-End Computing (ICHEC). Modified version of the PLUMED library was provided by Giovanni Bussi (https://github.com/GiovanniBussi/plumed2).en_IE
dc.formatapplication/pdfen_IE
dc.language.isoenen_IE
dc.publisherElsevieren_IE
dc.relation.ispartofChemical Physics Lettersen
dc.rightsAttribution-NonCommercial-NoDerivs 3.0 Ireland
dc.rights.urihttps://creativecommons.org/licenses/by-nc-nd/3.0/ie/
dc.subjectsurface structureen_IE
dc.subjectpeptide adsorptionen_IE
dc.subjectsoft surfacesen_IE
dc.titleEffect of surface structure on peptide adsorption on soft surfacesen_IE
dc.typeArticleen_IE
dc.date.updated2020-11-03T15:11:43Z
dc.identifier.doi10.1016/j.cplett.2020.137929
dc.local.publishedsourcehttps://doi.org/10.1016/j.cplett.2020.137929en_IE
dc.description.peer-reviewedpeer-reviewed
dc.description.embargo2022-08-28
dc.internal.rssid23346745
dc.local.contactDavid Cheung, School Of Chemistry, Nuig. Email: david.cheung@nuigalway.ie
dc.local.copyrightcheckedyes
dc.local.versionACCEPTED
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Attribution-NonCommercial-NoDerivs 3.0 Ireland
Except where otherwise noted, this item's license is described as Attribution-NonCommercial-NoDerivs 3.0 Ireland