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.

Short range structure of a GM3 ganglioside membrane: comparison between experimental WAXS and computer simulation results / M. Sega, R. Vallauri, P. Brocca, L. Cantù, S. Melchionna. - In: JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL. - ISSN 1520-6106. - 111:37(2007), pp. 10965-10969.

Short range structure of a GM3 ganglioside membrane: comparison between experimental WAXS and computer simulation results

P. Brocca;L. Cantù
Penultimo
;
2007

Abstract

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.
Settore FIS/07 - Fisica Applicata(Beni Culturali, Ambientali, Biol.e Medicin)
2007
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/2434/35025
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