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MembraneDyn: simulating the dynamics of supported membrane stacks on the nanosecond timescale

Authors :
Dominic W. Hayward
Sebastian Jaksch
Margarita Fomina
Purushottam S. Dubey
Henrich Frielinghaus
Olaf Holderer
Michael Monkenbusch
Source :
Acta crystallographica / Section D 78(10), 10.1107/S2059798322008701 (2022). doi:10.1107/S2059798322008701
Publication Year :
2022

Abstract

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.

Details

ISSN :
20597983
Volume :
78
Issue :
Pt 10
Database :
OpenAIRE
Journal :
Acta crystallographica. Section D, Structural biology
Accession number :
edsair.doi.dedup.....d1a389fe3d519faa489c48f83622fb9b
Full Text :
https://doi.org/10.1107/S2059798322008701