Fig. 12

MD simulation analysis of compound 4 binding to active site of MAOB (PDB ID: 7p4f.). (A) Protein backbone RMSD, (B) Ligand RMSD, (C) Protein backbone RMSF, (D) Number of hydrogen bonds.

MD simulation analysis of compound 4 binding to active site of MAOB (PDB ID: 7p4f.). (A) Protein backbone RMSD, (B) Ligand RMSD, (C) Protein backbone RMSF, (D) Number of hydrogen bonds.