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

Docking Result

CHEMBL3920234_dpp4

Atoms: 252
Models: 9
Best Energy: -9.432 kcal/mol

Binding Energies:
  • Pose 1: -9.432 kcal/mol
  • Pose 2: -9.105 kcal/mol
  • Pose 3: -8.981 kcal/mol
  • Pose 4: -8.977 kcal/mol
  • Pose 5: -8.795 kcal/mol
  • Pose 6: -8.732 kcal/mol
  • Pose 7: -8.649 kcal/mol
  • Pose 8: -8.245 kcal/mol
  • Pose 9: -8.167 kcal/mol
CHEMBL3920234_dpp4
Energy Plot
RMSD Scatter Plot