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

Docking Result

CHEMBL403882_dpp4

Atoms: 117
Models: 9
Best Energy: -5.191 kcal/mol

Binding Energies:
  • Pose 1: -5.191 kcal/mol
  • Pose 2: -5.028 kcal/mol
  • Pose 3: -5.004 kcal/mol
  • Pose 4: -4.983 kcal/mol
  • Pose 5: -4.948 kcal/mol
  • Pose 6: -4.93 kcal/mol
  • Pose 7: -4.909 kcal/mol
  • Pose 8: -4.837 kcal/mol
  • Pose 9: -4.798 kcal/mol
CHEMBL403882_dpp4
Energy Plot
RMSD Scatter Plot