Protegrin-1 orientation and physicochemical properties in membrane bilayers studied by potential of mean force calculations

@article{Rui2010Protegrin1OA,
  title={Protegrin-1 orientation and physicochemical properties in membrane bilayers studied by potential of mean force calculations},
  author={Huan Rui and Wonpil Im},
  journal={Journal of computational chemistry},
  year={2010},
  volume={31 16},
  pages={2859-67}
}
Protegrin-1 (PG-1) belongs to the family of antimicrobial peptides. It interacts specifically with the membrane of a pathogen and kills the pathogen by releasing its cellular contents. To fully understand the energetics governing the orientation of PG-1 in different membrane environments and its effects on the physicochemical properties of the peptide and membrane bilayers, we have performed the potential of mean force (PMF) calculations as a function of its tilt angle at four distinct rotation… CONTINUE READING