Molecular dynamics (MD) trajectories for lytic polysaccharide monooxygenases (LPMO) based on neutron structure. These simulations were performed using AMBER package (ff14SB force-field) with explicit solvent and counter-ions. The durations of each trajectory is 1 microsecond. 1,000 snapshots each separated by 1 nanosecond are provided here in PDB format. The water molecules and counter-ions have been removed from these PDB frames. These files can be viewed using a biomolecular visualization software, such as PyMOL.

Date Submitted: 2022-06-07