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

Docking Result

CHEMBL3580785_dpp4

Atoms: 288
Models: 9
Best Energy: -6.766 kcal/mol

Binding Energies:
  • Pose 1: -6.766 kcal/mol
  • Pose 2: -5.903 kcal/mol
  • Pose 3: -5.799 kcal/mol
  • Pose 4: -5.765 kcal/mol
  • Pose 5: -5.758 kcal/mol
  • Pose 6: -5.732 kcal/mol
  • Pose 7: -5.632 kcal/mol
  • Pose 8: -5.549 kcal/mol
  • Pose 9: -5.486 kcal/mol
CHEMBL3580785_dpp4
Energy Plot
RMSD Scatter Plot