Before revision: We compare the order parameters predicted for the hydrocarbon segments in lipid bilayer headgroup region by the Berger molecular dynamics simulation model to those measured by Nuclear Magnetic Resonance (NMR) experiments.
After revision: Phospholipids are essential building blocks of biological membranes. Despite of vast amount of accurate experimental data the atomistic resolution structures sampled by the glycerol backbone and choline headgroup in phoshatidylcholine bilayers are not known. Atomistic resolution molecular dynamics simulation model to those measured by Nuclear Magnetic Resonance (NMR) experiments.