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

Docking Result

CHEMBL3926493_dpp4

Atoms: 369
Models: 9
Best Energy: -8.401 kcal/mol

Binding Energies:
  • Pose 1: -8.401 kcal/mol
  • Pose 2: -8.123 kcal/mol
  • Pose 3: -7.867 kcal/mol
  • Pose 4: -7.837 kcal/mol
  • Pose 5: -7.828 kcal/mol
  • Pose 6: -7.798 kcal/mol
  • Pose 7: -7.79 kcal/mol
  • Pose 8: -7.774 kcal/mol
  • Pose 9: -7.702 kcal/mol
CHEMBL3926493_dpp4
Energy Plot
RMSD Scatter Plot