Fig. 6. (A) shows the RMSD of ligand i.e. compound 10g (green), complex (orange) and the receptor (blue) for pose 15 over the course of the simulation. The shaded regions represent the standard deviation of the RMSD values. (B) illustrates the contact duration of key residues of Gal-1 interacting with 10g, with error bars indicating the standard deviation of each interaction.
