GROMACS molecular dynamics simulations of EAS hydrophobin at oil and gas/seawater interfaces

This dataset includes input files for three GROMACS molecular dynamics simulations, which were run to evaluate the potential use of EAS hydrophobin, a hydrophobin from the fungal ascomycete Neurospora crassa, as a dispersant. These simulations were: 1) all-atom potential mean of force calculation for the hydrophobin EAS near a gas/seawater interface, 2) Martini (coarse-grained) potential mean of force calculation for the hydrophobin EAS near a oil/seawater interface, and 3) Martini (coarse-grained) potential molecular dynamics simulations of the hydrophobin EAS in an oil/seawater system.