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

Docking Result

CHEMBL3929764_dpp4

Atoms: 252
Models: 9
Best Energy: -8.876 kcal/mol

Binding Energies:
  • Pose 1: -8.876 kcal/mol
  • Pose 2: -8.603 kcal/mol
  • Pose 3: -8.547 kcal/mol
  • Pose 4: -8.525 kcal/mol
  • Pose 5: -8.485 kcal/mol
  • Pose 6: -8.467 kcal/mol
  • Pose 7: -8.462 kcal/mol
  • Pose 8: -8.344 kcal/mol
  • Pose 9: -8.241 kcal/mol
CHEMBL3929764_dpp4
Energy Plot
RMSD Scatter Plot