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

Docking Result

CHEMBL3675630_dpp4

Atoms: 342
Models: 9
Best Energy: -9.13 kcal/mol

Binding Energies:
  • Pose 1: -9.13 kcal/mol
  • Pose 2: -9.052 kcal/mol
  • Pose 3: -9.046 kcal/mol
  • Pose 4: -8.787 kcal/mol
  • Pose 5: -8.747 kcal/mol
  • Pose 6: -8.722 kcal/mol
  • Pose 7: -8.624 kcal/mol
  • Pose 8: -8.423 kcal/mol
  • Pose 9: -8.036 kcal/mol
CHEMBL3675630_dpp4
Energy Plot
RMSD Scatter Plot