Figure 8. Physical properties of the molecular dynamics environment.

(a–c) Total energy, (d–f) kinetic energy and (g–i) temperature were calculated. All complexes were performed at constant temperature. Total energy and kinetic energy shows the stability of the system. UT-B without ligand shows a relatively stable system compared to urea. Total energy decreased while the ligand was binding with UT-B, either in urea treated and untreated conditions.