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

Autor: Hayward DW; Jülich Centre for Neutron Science, Forschungzentrum Jülich, Lichtenbergstrasse 1, 85747 Garching, Germany., Jaksch S; Jülich Centre for Neutron Science, Forschungzentrum Jülich, Lichtenbergstrasse 1, 85747 Garching, Germany., Fomina M; Jülich Centre for Neutron Science, Forschungzentrum Jülich, Lichtenbergstrasse 1, 85747 Garching, Germany., Dubey PS; Jülich Centre for Neutron Science, Forschungzentrum Jülich, Lichtenbergstrasse 1, 85747 Garching, Germany., Frielinghaus H; Jülich Centre for Neutron Science, Forschungzentrum Jülich, Lichtenbergstrasse 1, 85747 Garching, Germany., Holderer O; Jülich Centre for Neutron Science, Forschungzentrum Jülich, Lichtenbergstrasse 1, 85747 Garching, Germany., Monkenbusch M; Jülich Centre for Neutron Science, Forschungzentrum Jülich, Lichtenbergstrasse 1, 85747 Garching, Germany.
Jazyk: angličtina
Zdroj: Acta crystallographica. Section D, Structural biology [Acta Crystallogr D Struct Biol] 2022 Oct 01; Vol. 78 (Pt 10), pp. 1249-1258. Date of Electronic Publication: 2022 Sep 27.
DOI: 10.1107/S2059798322008701
Abstrakt: 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.
(open access.)
Databáze: MEDLINE
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