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

Docking Result

CHEMBL3675636_dpp4

Atoms: 387
Models: 9
Best Energy: -9.542 kcal/mol

Binding Energies:
  • Pose 1: -9.542 kcal/mol
  • Pose 2: -9.473 kcal/mol
  • Pose 3: -9.273 kcal/mol
  • Pose 4: -9.11 kcal/mol
  • Pose 5: -9.071 kcal/mol
  • Pose 6: -9.018 kcal/mol
  • Pose 7: -8.983 kcal/mol
  • Pose 8: -8.908 kcal/mol
  • Pose 9: -8.652 kcal/mol
CHEMBL3675636_dpp4
Energy Plot
RMSD Scatter Plot