Adhesion forces of lipids in a phospholipid membrane studied by molecular dynamics simulations.

@article{Marrink1998AdhesionFO,
  title={Adhesion forces of lipids in a phospholipid membrane studied by molecular dynamics simulations.},
  author={Siewert J. Marrink and otto. berger and P Tieleman and Fritz J{\"a}hnig},
  journal={Biophysical journal},
  year={1998},
  volume={74 2 Pt 1},
  pages={931-43}
}
Lipid adhesion forces can be measured using several experimental techniques, but none of these techniques provide insight on the atomic level. Therefore, we performed extensive nonequilibrium molecular dynamics simulations of a phospholipid membrane in the liquid-crystalline phase out of which individual lipid molecules were pulled. In our method, as an idealization of the experimental setups, we have simply attached a harmonic spring to one of the lipid headgroup atoms. Upon retraction of the… CONTINUE READING