Probing molecular forces in multi-component physiological membranes

Phys Chem Chem Phys. 2018 Jan 24;20(4):2155-2161. doi: 10.1039/c7cp05981g.


Biological membranes are remarkably heterogeneous, composed of diverse lipid mixtures with distinct chemical structure and composition. By combining molecular dynamics simulations and the newly developed Lipid-Force Distribution Analysis (L-FDA), we explore force transmission in complex multi-component membrane models mimicking eukaryotic organelles. We found that the chemical-moiety based segmentation at membrane interfaces revealed a distinctive distribution of bonded and non-bonded forces in diverse membrane environment. Our molecular stress analysis could have far-reaching implications in describing the relationship between membrane mechanical properties and functional states of chemically distinct lipids.

MeSH terms

  • Algorithms
  • Cluster Analysis
  • Endoplasmic Reticulum / chemistry
  • Golgi Apparatus / chemistry
  • Lipid Bilayers / chemistry*
  • Lipid Bilayers / metabolism
  • Mitochondria / chemistry
  • Molecular Dynamics Simulation
  • Phosphatidylcholines / chemistry
  • Phosphatidylethanolamines / chemistry


  • Lipid Bilayers
  • Phosphatidylcholines
  • Phosphatidylethanolamines
  • 1-palmitoyl-2-oleoylphosphatidylethanolamine
  • 1-palmitoyl-2-oleoylphosphatidylcholine