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Analysis of MD trajectories generated by Gromacs: (a) solvent accessible surface area of protein, (b) solvent accessible surface area of ligands, (c) radius of gyration of protein, (d) and radius of gyration of ligands. Trajectories for Tacrolimus, Daphnetoxin, 20-O-(2′E,4′E-decadienoyl)ingenol, and Lythrancine II are shown in pink, mint, blue, and violet, respectively.
