Figure 8.
Movement of the H2O2 molecule in the LPMO active site in the absence of the polysaccharide substrate from QM/MM MD simulation. Representative structures extracted from the simulations (2PC5 state).
Movement of the H2O2 molecule in the LPMO active site in the absence of the polysaccharide substrate from QM/MM MD simulation. Representative structures extracted from the simulations (2PC5 state).