Short-range structure of a GM3 ganglioside membrane: comparison between experimental WAXS and computer simulation results.
The local structure of a GM3 ganglioside bilayer, whose wide-angle X-ray spectrum is reconstructed from molecular dynamics simulations, is found to compare quantitatively well with the experimental one. By separating inter- and intramolecular contributions, correlations between distinct head groups are shown to contribute in a substantial way to the total scattering intensity. This finding supports the hypothesis of a strong local head group order as recently formulated on the basis of calorimetry and X-ray experimental data.
Sega
Marcello
M
INFM-CNR and Department of Physics, University of Trento, Via Sommarive 14, I-38050 Povo, Trento, Italy.
Vallauri
Renzo
R
Brocca
Paola
P
Cantù
Laura
L
Melchionna
Simone
S
D003198:Computer Simulation; D005679:G(M3) Ganglioside / Q000737:chemistry*; D008051:Lipid Bilayers / Q000737:chemistry*; D008567:Membranes, Artificial; D012542:Scattering, Radiation
D005679:G(M3) Ganglioside; D008051:Lipid Bilayers; D008567:Membranes, Artificial