DockMetrics
MOLECULAR DOCKING Inhibition Efficiency Index (IEI) and Selectivity Entropy Index (SEI)

Docking Result

CHEMBL149498_dpp4

Atoms: 198
Models: 9
Best Energy: -4.077 kcal/mol

Binding Energies:
  • Pose 1: -4.077 kcal/mol
  • Pose 2: -4.018 kcal/mol
  • Pose 3: -3.999 kcal/mol
  • Pose 4: -3.994 kcal/mol
  • Pose 5: -3.904 kcal/mol
  • Pose 6: -3.857 kcal/mol
  • Pose 7: -3.789 kcal/mol
  • Pose 8: -3.704 kcal/mol
  • Pose 9: -3.587 kcal/mol
CHEMBL149498_dpp4
Energy Plot
RMSD Scatter Plot