Fig. 6

Conformational changes of the protein-ligand complex at different time points during molecular dynamics simulation. (a, c, e, g) represent the structures at 0 ns, (b, d, f, h) show the corresponding structures at 100 ns. (a, b) control, (c, d) 138,567,123, (e, f) 5,279,171, and (g, h) 129,130,827.