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

Docking Result

CHEMBL2206484_dpp4

Atoms: 351
Models: 9
Best Energy: -9.253 kcal/mol

Binding Energies:
  • Pose 1: -9.253 kcal/mol
  • Pose 2: -8.978 kcal/mol
  • Pose 3: -8.885 kcal/mol
  • Pose 4: -8.766 kcal/mol
  • Pose 5: -8.751 kcal/mol
  • Pose 6: -8.72 kcal/mol
  • Pose 7: -8.514 kcal/mol
  • Pose 8: -8.48 kcal/mol
  • Pose 9: -8.421 kcal/mol
CHEMBL2206484_dpp4
Energy Plot
RMSD Scatter Plot