Molecular dynamics simulations of phospholipid bilayers.

@article{Huang1994MolecularDS,
  title={Molecular dynamics simulations of phospholipid bilayers.},
  author={P. Huang and J. J. Perez and G. Loew},
  journal={Journal of biomolecular structure \& dynamics},
  year={1994},
  volume={11 5},
  pages={
          927-56
        }
}
Molecular dynamics (MD) simulations at 37 degrees C have been performed on three phospholipid bilayer systems composed of the lipids DLPE, DOPE, and DOPC. The model used included 24 explicit lipid molecules and explicit waters of solvation in the polar head group regions, together with constant-pressure periodic boundary conditions in three dimensions. Using this model, a MD simulation samples part of an infinite planar lipid bilayer. The lipid dynamics and packing behavior were characterized… Expand
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