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

Docking Result

CHEMBL5275487_dpp4

Atoms: 180
Models: 9
Best Energy: -6.137 kcal/mol

Binding Energies:
  • Pose 1: -6.137 kcal/mol
  • Pose 2: -6.022 kcal/mol
  • Pose 3: -6.004 kcal/mol
  • Pose 4: -5.94 kcal/mol
  • Pose 5: -5.823 kcal/mol
  • Pose 6: -5.804 kcal/mol
  • Pose 7: -5.798 kcal/mol
  • Pose 8: -5.766 kcal/mol
  • Pose 9: -5.732 kcal/mol
CHEMBL5275487_dpp4
Energy Plot
RMSD Scatter Plot