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

Docking Result

CHEMBL3680634_dpp4

Atoms: 369
Models: 9
Best Energy: -8.23 kcal/mol

Binding Energies:
  • Pose 1: -8.23 kcal/mol
  • Pose 2: -8.056 kcal/mol
  • Pose 3: -8.055 kcal/mol
  • Pose 4: -7.806 kcal/mol
  • Pose 5: -7.802 kcal/mol
  • Pose 6: -7.656 kcal/mol
  • Pose 7: -7.637 kcal/mol
  • Pose 8: -7.612 kcal/mol
  • Pose 9: -7.574 kcal/mol
CHEMBL3680634_dpp4
Energy Plot
RMSD Scatter Plot