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

Docking Result

CHEMBL3957200_dpp4

Atoms: 333
Models: 9
Best Energy: -8.78 kcal/mol

Binding Energies:
  • Pose 1: -8.78 kcal/mol
  • Pose 2: -8.732 kcal/mol
  • Pose 3: -8.705 kcal/mol
  • Pose 4: -8.441 kcal/mol
  • Pose 5: -8.377 kcal/mol
  • Pose 6: -8.325 kcal/mol
  • Pose 7: -8.128 kcal/mol
  • Pose 8: -8.106 kcal/mol
  • Pose 9: -8.072 kcal/mol
CHEMBL3957200_dpp4
Energy Plot
RMSD Scatter Plot