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

Docking Result

CHEMBL3680633_dpp4

Atoms: 396
Models: 9
Best Energy: -9.371 kcal/mol

Binding Energies:
  • Pose 1: -9.371 kcal/mol
  • Pose 2: -9.081 kcal/mol
  • Pose 3: -8.989 kcal/mol
  • Pose 4: -8.971 kcal/mol
  • Pose 5: -8.823 kcal/mol
  • Pose 6: -8.788 kcal/mol
  • Pose 7: -8.741 kcal/mol
  • Pose 8: -8.621 kcal/mol
  • Pose 9: -8.608 kcal/mol
CHEMBL3680633_dpp4
Energy Plot
RMSD Scatter Plot