A reactive molecular dynamics study for plasma medicine applications

In this paper, we present atomic scale reactive molecular dynamics simulations for the interactions of reactive oxygen species (i.e., O, OH, O2, O3 and H2O2) with biomolecules, more specifically with bacterial peptidoglycan, as well as with a phospholipid bilayer. Furthermore, we have also investigated the behavior of these species in water, as a simple model system for the liquid film surrounding biomolecules.