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000893808 1001_ $$00000-0003-4824-7988$$aZec, Nebojša$$b0
000893808 245__ $$aMutually Beneficial Combination of Molecular Dynamics Computer Simulations and Scattering Experiments
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000893808 520__ $$aWe showcase the combination of experimental neutron scattering data and molecular dynamics (MD) simulations for exemplary phospholipid membrane systems. Neutron and X-ray reflectometry and small-angle scattering measurements are determined by the scattering length density profile in real space, but it is not usually possible to retrieve this profile unambiguously from the data alone. MD simulations predict these density profiles, but they require experimental control. Both issues can be addressed simultaneously by cross-validating scattering data and MD results. The strengths and weaknesses of each technique are discussed in detail with the aim of optimizing the opportunities provided by this combination.
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000893808 65017 $$0V:(DE-MLZ)GC-1602-2016$$2V:(DE-HGF)$$aPolymers, Soft Nano Particles and  Proteins$$x0
000893808 693__ $$0EXP:(DE-MLZ)KWS1-20140101$$1EXP:(DE-MLZ)FRMII-20140101$$5EXP:(DE-MLZ)KWS1-20140101$$6EXP:(DE-MLZ)NL3b-20140101$$aForschungs-Neutronenquelle Heinz Maier-Leibnitz $$eKWS-1: Small angle scattering diffractometer$$fNL3b$$x0
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000893808 7001_ $$0P:(DE-Juel1)166565$$aMangiapia, Gaetano$$b1
000893808 7001_ $$0P:(DE-HGF)0$$aHendry, Alex C.$$b2
000893808 7001_ $$00000-0002-8645-5385$$aBarker, Robert$$b3
000893808 7001_ $$0P:(DE-Juel1)158075$$aKoutsioubas, Alexandros$$b4
000893808 7001_ $$0P:(DE-Juel1)130646$$aFrielinghaus, Henrich$$b5
000893808 7001_ $$00000-0002-2151-4110$$aCampana, Mario$$b6
000893808 7001_ $$00000-0002-6316-4390$$aOrtega-Roldan, José Luis$$b7
000893808 7001_ $$00000-0002-9815-909X$$aBusch, Sebastian$$b8$$eCorresponding author
000893808 7001_ $$00000-0003-2508-2607$$aMoulin, Jean-François$$b9
000893808 773__ $$0PERI:(DE-600)2614641-1$$a10.3390/membranes11070507$$gVol. 11, no. 7, p. 507 -$$n7$$p507$$tMembranes$$v11$$x2077-0375$$y2021
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