Abstract:Molecular dynamics (MD) simulations have become increasingly impactful in membrane biophysics because they offer atomistic resolution into the atomistic fluctuations of lipid assemblies. Validation of the simulation trajectories with experimental data is crucial for interpretation and application of MD results. As an ideal benchmarking technique, NMR spectroscopy delivers order parameters of the carbon-deuterium bond fluctuations along the lipid chains. Additionally, NMR relaxation can access lipid dynamics pr… Show more
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