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Updated: Jul 15, 2026

Realistic Membrane Modeling Using Complex Lipid Mixtures in Simulation Studies
Published on: September 1, 2023
Inhomogeneity effects on the structure and dynamics of water at the surface of a membrane: a computer simulation
G Garberoglio1, M Sega, R Vallauri
1Dipartimento di Fisica, Università di Trento, Via Sommarive 14, Povo, TN, Italy.
Abstract:
The authors report the structural and dynamical properties of water interacting with the surface of a lipid bilayer. Three regions have been identified, which show different dynamical regimes of water: a region of strong water-solute interaction, a transition region, and the bulk water region. The dynamics of the strong-interacting water is dominated by caging effects, as shown by the analysis of the self-intermediate scattering function, and by the disrupture of water's hydrogen bond network, while the smooth transition to bulk water is traced back to the roughness of the bilayer surface.
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