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

Docking Result

CHEMBL362140_dpp4

Atoms: 171
Models: 9
Best Energy: -6.782 kcal/mol

Binding Energies:
  • Pose 1: -6.782 kcal/mol
  • Pose 2: -6.025 kcal/mol
  • Pose 3: -5.974 kcal/mol
  • Pose 4: -5.968 kcal/mol
  • Pose 5: -5.849 kcal/mol
  • Pose 6: -5.828 kcal/mol
  • Pose 7: -5.784 kcal/mol
  • Pose 8: -5.765 kcal/mol
  • Pose 9: -5.685 kcal/mol
CHEMBL362140_dpp4
Energy Plot
RMSD Scatter Plot