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

Docking Result

CHEMBL6147781_dpp4

Atoms: 360
Models: 9
Best Energy: -9.048 kcal/mol

Binding Energies:
  • Pose 1: -9.048 kcal/mol
  • Pose 2: -8.873 kcal/mol
  • Pose 3: -8.868 kcal/mol
  • Pose 4: -8.75 kcal/mol
  • Pose 5: -8.106 kcal/mol
  • Pose 6: -8.077 kcal/mol
  • Pose 7: -7.938 kcal/mol
  • Pose 8: -7.908 kcal/mol
  • Pose 9: -7.869 kcal/mol
CHEMBL6147781_dpp4
Energy Plot
RMSD Scatter Plot