Lipid bilayer polypeptide interactions studied by molecular dynamics simulation

@article{Edholm1987LipidBP,
  title={Lipid bilayer polypeptide interactions studied by molecular dynamics simulation},
  author={Olle Edholm and Jan J Johansson},
  journal={European Biophysics Journal},
  year={1987},
  volume={14},
  pages={203-209}
}
A model membrane with a polypeptide alpha-helix inserted has been simulated by molecular dynamics at a temperature well above the gel/liquid crystalline phase transition temperature. Order parameters of the lipids and other equilibrium and dynamic quantities have been calculated. Three systems, polyglycine constrained into an alphahelical configuration, glycophorin with similarly conformationally constrained backbone and finally glycophorin free to change its backbone conformation, have been… CONTINUE READING