Figure 6

(a) RMSD values across the entire simulation duration of protein–ligand complexes. (b) The radius of gyration values calculated during M.D. simulations. (c) Variation in RMSF of the \(\mathrm{C\alpha }\) atoms of key residues within GPD1.

(a) RMSD values across the entire simulation duration of protein–ligand complexes. (b) The radius of gyration values calculated during M.D. simulations. (c) Variation in RMSF of the \(\mathrm{C\alpha }\) atoms of key residues within GPD1.