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

Docking Result

CHEMBL3580777_dpp4

Atoms: 297
Models: 9
Best Energy: -7.316 kcal/mol

Binding Energies:
  • Pose 1: -7.316 kcal/mol
  • Pose 2: -7.302 kcal/mol
  • Pose 3: -7.101 kcal/mol
  • Pose 4: -7.035 kcal/mol
  • Pose 5: -6.989 kcal/mol
  • Pose 6: -6.981 kcal/mol
  • Pose 7: -6.849 kcal/mol
  • Pose 8: -6.841 kcal/mol
  • Pose 9: -6.766 kcal/mol
CHEMBL3580777_dpp4
Energy Plot
RMSD Scatter Plot