Figure 14

Cα-RMSF analysis relative to the molecular dynamics simulations in aqueous systems (200 ns) of the LaARG-ligand complexes of 4h (A), 7g (B) and 7k (C) in the allosteric site; (D) 3D-structure of the LaARG model highlighting the allosteric site (ochre) and residues groups purple, yellow, blue, orange, and red with the highest RMSF values.