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

Docking Result

CHEMBL237141_dpp4

Atoms: 324
Models: 9
Best Energy: -8.767 kcal/mol

Binding Energies:
  • Pose 1: -8.767 kcal/mol
  • Pose 2: -8.313 kcal/mol
  • Pose 3: -8.287 kcal/mol
  • Pose 4: -8.281 kcal/mol
  • Pose 5: -7.982 kcal/mol
  • Pose 6: -7.828 kcal/mol
  • Pose 7: -7.826 kcal/mol
  • Pose 8: -7.651 kcal/mol
  • Pose 9: -7.567 kcal/mol
CHEMBL237141_dpp4
Energy Plot
RMSD Scatter Plot