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

Docking Result

CHEMBL512709_dpp4

Atoms: 324
Models: 9
Best Energy: -8.707 kcal/mol

Binding Energies:
  • Pose 1: -8.707 kcal/mol
  • Pose 2: -8.433 kcal/mol
  • Pose 3: -8.433 kcal/mol
  • Pose 4: -8.416 kcal/mol
  • Pose 5: -8.279 kcal/mol
  • Pose 6: -8.192 kcal/mol
  • Pose 7: -8.064 kcal/mol
  • Pose 8: -7.777 kcal/mol
  • Pose 9: -7.773 kcal/mol
CHEMBL512709_dpp4
Energy Plot
RMSD Scatter Plot