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

Docking Result

CHEMBL249945_dpp4

Atoms: 315
Models: 9
Best Energy: -8.279 kcal/mol

Binding Energies:
  • Pose 1: -8.279 kcal/mol
  • Pose 2: -8.081 kcal/mol
  • Pose 3: -7.874 kcal/mol
  • Pose 4: -7.831 kcal/mol
  • Pose 5: -7.828 kcal/mol
  • Pose 6: -7.765 kcal/mol
  • Pose 7: -7.639 kcal/mol
  • Pose 8: -7.538 kcal/mol
  • Pose 9: -7.361 kcal/mol
CHEMBL249945_dpp4
Energy Plot
RMSD Scatter Plot