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

Docking Result

CHEMBL561322_dpp4

Atoms: 288
Models: 9
Best Energy: -8.168 kcal/mol

Binding Energies:
  • Pose 1: -8.168 kcal/mol
  • Pose 2: -8.143 kcal/mol
  • Pose 3: -7.945 kcal/mol
  • Pose 4: -7.664 kcal/mol
  • Pose 5: -7.592 kcal/mol
  • Pose 6: -7.522 kcal/mol
  • Pose 7: -7.496 kcal/mol
  • Pose 8: -7.487 kcal/mol
  • Pose 9: -7.414 kcal/mol
CHEMBL561322_dpp4
Energy Plot
RMSD Scatter Plot