Figure 4

(A) Right: the RMSD and left: RMSF of Cα of iNOS protein during the simulation. (B) Right: the radius of gyration and left: solvent accessible surface area of iNOS in case of bonding to the native ligand and the drugs. (C) Right: distances between the center of mass of the heme group and the enzyme’s cofactor tetrahydrobiopterin (H4B) and left: distances of the heme group with the Arg and drug molecules during the simulation.