Calculating the bulk modulus for a lipid bilayer with nonequilibrium molecular dynamics simulation.

@article{Ayton2002CalculatingTB,
  title={Calculating the bulk modulus for a lipid bilayer with nonequilibrium molecular dynamics simulation.},
  author={Gary S. D. Ayton and Alexander M. Smondyrev and Scott Bardenhagen and Patrick McMurtry and Gregory A. Voth},
  journal={Biophysical journal},
  year={2002},
  volume={82 3},
  pages={1226-38}
}
Nonequilibrium molecular dynamics (NEMD) computer simulations are used to calculated the bulk modulus for a dimyristoylphosphatidylcholine bilayer. A methodology is developed whereby NEMD can be effectively used to calculate material properties for complex systems that undergo long time-scale conformational changes. It is found that the bulk modulus upon expansion from a zero stress state agrees well with experimental estimates. However, it is also found that the modulus upon contraction from a… CONTINUE READING

From This Paper

Topics from this paper.
15 Citations
0 References
Similar Papers

Citations

Publications citing this paper.
Showing 1-10 of 15 extracted citations

Similar Papers

Loading similar papers…