Figure 13
From: Machine learning driven web-based app platform for the discovery of monoamine oxidase B inhibitors
Analysis of the C175-0062 -MAO-B complex using MD simulation. (A) RMSD (protein RMSD is shown in blue, and RMSD of C175-0062 is shown in red). (B) Individual amino acid RMSF for proteins. (C) Analysis of protein–ligand contacts of MD trajectory. (D) 2D Interaction diagram.
