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Updated: Jun 18, 2026

Realistic Membrane Modeling Using Complex Lipid Mixtures in Simulation Studies
Published on: September 1, 2023
Computer simulation of water-mediated forces between gel-phase phospholipid bilayers
Alexander Pertsin1, Ivan Fedyanin, Michael Grunze
1Angewandte Physikalische Chemie, Universität Heidelberg, Im Neuenheimer Feld 253, 69120 Heidelberg, Germany. ig3@ix.urz.uni-heidelberg.de
Abstract:
Water-mediated forces between gel-phase phospholipid bilayers were calculated as a function of interbilayer separation using the grand canonical Monte Carlo technique and all-atom CHARMM force field. The mechanism of the short-range interbilayer repulsion proved to be similar to that calculated previously for the fluid-phase bilayers despite substantial differences in structure and areal density between the gel and fluid phases.
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