MembraneDyn: simulating the dynamics of supported membrane stacks on the nanosecond timescale.
dynamical simulations
grazing-incidence diffraction
materials modelling
neutron spin-echo spectroscopy
supported membrane stacks
time-dependent intermediate scattering function
Journal
Acta crystallographica. Section D, Structural biology
ISSN: 2059-7983
Titre abrégé: Acta Crystallogr D Struct Biol
Pays: United States
ID NLM: 101676043
Informations de publication
Date de publication:
01 Oct 2022
01 Oct 2022
Historique:
received:
10
05
2022
accepted:
30
08
2022
entrez:
3
10
2022
pubmed:
4
10
2022
medline:
5
10
2022
Statut:
ppublish
Résumé
The static structure factor and the undulation dynamics of a solid-supported membrane stack have previously been calculated by Romanov and Ul'yanov [Romanov & Ul'yanov (2002). Phys. Rev. E, 66, 061701]. Based on this prior work, the calculation has been extended to cover the membrane dynamics, i.e. the intermediate scattering function as a Fourier transform of the van Hove correlation function of the membrane stack. Fortran code which calculates the intermediate scattering function for a membrane stack on a solid support is presented. It allows the static and dynamic scattering functions to be calculated according to the derivation of Romanov and Ul'yanov. The physical properties of supported phospholipid bilayers can be examined in this way and the results can be directly compared with results obtained from grazing-incidence neutron spin-echo spectroscopy experiments.
Identifiants
pubmed: 36189744
pii: S2059798322008701
doi: 10.1107/S2059798322008701
pmc: PMC9527762
doi:
Substances chimiques
Lipid Bilayers
0
Phospholipids
0
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Pagination
1249-1258Informations de copyright
open access.
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