dc.contributor.author
Jain, Honey
dc.contributor.author
Karathanou, Konstantina
dc.contributor.author
Bondar, Ana-Nicoleta
dc.date.accessioned
2023-08-31T11:20:42Z
dc.date.available
2023-08-31T11:20:42Z
dc.identifier.uri
https://refubium.fu-berlin.de/handle/fub188/40626
dc.identifier.uri
http://dx.doi.org/10.17169/refubium-40347
dc.description.abstract
Phosphatidylserine lipids are anionic molecules present in eukaryotic plasma membranes, where they have essential physiological roles. The altered distribution of phosphatidylserine in cells such as apoptotic cancer cells, which, unlike healthy cells, expose phosphatidylserine, is of direct interest for the development of biomarkers. We present here applications of a recently implemented Depth-First-Search graph algorithm to dissect the dynamics of transient water-mediated lipid clusters at the interface of a model bilayer composed of 1-palmytoyl-2-oleoyl-sn-glycero-2-phosphatidylserine (POPS) and cholesterol. Relative to a reference POPS bilayer without cholesterol, in the POPS:cholesterol bilayer there is a somewhat less frequent sampling of relatively complex and extended water-mediated hydrogen-bond networks of POPS headgroups. The analysis protocol used here is more generally applicable to other lipid:cholesterol bilayers.
en
dc.format.extent
14 Seiten
dc.rights.uri
https://creativecommons.org/licenses/by/4.0/
dc.subject
depth-first-search algorithm
en
dc.subject
lipid-water hydrogen-bond network
en
dc.subject
hydrogen-bond network topology
en
dc.subject
POPS-cholesterol hydrogen-bond networks
en
dc.subject.ddc
500 Naturwissenschaften und Mathematik::530 Physik::530 Physik
dc.title
Graph-Based Analyses of Dynamic Water-Mediated Hydrogen-Bond Networks in Phosphatidylserine: Cholesterol Membranes
dc.type
Wissenschaftlicher Artikel
dcterms.bibliographicCitation.articlenumber
1238
dcterms.bibliographicCitation.doi
10.3390/biom13081238
dcterms.bibliographicCitation.journaltitle
Biomolecules
dcterms.bibliographicCitation.number
8
dcterms.bibliographicCitation.originalpublishername
MDPI
dcterms.bibliographicCitation.volume
13
dcterms.bibliographicCitation.url
https://doi.org/10.3390/biom13081238
refubium.affiliation
Physik
refubium.resourceType.isindependentpub
no
dcterms.accessRights.openaire
open access
dcterms.isPartOf.eissn
2218-273X