Force field dependence of phospholipid headgroup and acyl chain properties: Comparative molecular dynamics simulations of DMPC bilayers

@article{Prakash2010ForceFD,
  title={Force field dependence of phospholipid headgroup and acyl chain properties: Comparative molecular dynamics simulations of DMPC bilayers},
  author={Priyanka Prakash and Ramasubbu Sankararamakrishnan},
  journal={Journal of computational chemistry},
  year={2010},
  volume={31 2},
  pages={266-77}
}
The reliability of molecular simulations largely depends on the quality of the empirical force field parameters. Force fields used in lipid simulations continue to be improved to enhance the agreement with experiments for a number of different properties. In this work, we have carried out molecular dynamics simulations of neat DMPC bilayers using united… CONTINUE READING