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

Docking Result

CHEMBL1243374_dpp4

Atoms: 216
Models: 9
Best Energy: -7.809 kcal/mol

Binding Energies:
  • Pose 1: -7.809 kcal/mol
  • Pose 2: -7.764 kcal/mol
  • Pose 3: -7.685 kcal/mol
  • Pose 4: -7.652 kcal/mol
  • Pose 5: -7.648 kcal/mol
  • Pose 6: -7.633 kcal/mol
  • Pose 7: -7.595 kcal/mol
  • Pose 8: -7.51 kcal/mol
  • Pose 9: -7.343 kcal/mol
CHEMBL1243374_dpp4
Energy Plot
RMSD Scatter Plot