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

Docking Result

CHEMBL5631075_dpp4

Atoms: 414
Models: 9
Best Energy: -9.696 kcal/mol

Binding Energies:
  • Pose 1: -9.696 kcal/mol
  • Pose 2: -9.662 kcal/mol
  • Pose 3: -9.601 kcal/mol
  • Pose 4: -9.468 kcal/mol
  • Pose 5: -9.183 kcal/mol
  • Pose 6: -8.915 kcal/mol
  • Pose 7: -8.915 kcal/mol
  • Pose 8: -8.611 kcal/mol
  • Pose 9: -8.528 kcal/mol
CHEMBL5631075_dpp4
Energy Plot
RMSD Scatter Plot