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 Simulation of Membrane X-ray and Neutron Scattering |
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Simulation of Membrane X-ray and Neutron Scattering
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Jochen S. Hub and Bert L. de Groot
in collaboration with Tim Salditt and M. C. Rheinstädter
In collaboration with the Institute for X-ray physics at the University of Göttingen we investigate short range structure and collective dynamics of lipid bilayer membranes. As x-ray and neutron experiments usually probe only the intensity of the fourier transform of the electron density of the lipid bilayer, MD simulations can complement such experimets as they provide (a) complete information in both fourier and real space, and (b) enable to decompose the data into contributions from, e.g. the lipid tails, the head groups, and water. Finally, critical comprison of experimental and simulation data can support and stimulate further development of lipid force fields.
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References
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J. S. Hub, T. Salditt, M. C. Rheinstädter, and B. L. de Groot.
Short range order and collective dynamics of DMPC bilayers. A comparison between molecular dynamics simulations, x-ray, and neutron scattering experiments.
Biophys. J. 93: 3156-3168 (2007)
[pdf]
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