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

Docking Result

CHEMBL1650409_dpp4

Atoms: 243
Models: 9
Best Energy: -8.889 kcal/mol

Binding Energies:
  • Pose 1: -8.889 kcal/mol
  • Pose 2: -8.797 kcal/mol
  • Pose 3: -8.05 kcal/mol
  • Pose 4: -7.913 kcal/mol
  • Pose 5: -7.648 kcal/mol
  • Pose 6: -7.513 kcal/mol
  • Pose 7: -7.51 kcal/mol
  • Pose 8: -7.483 kcal/mol
  • Pose 9: -7.383 kcal/mol
CHEMBL1650409_dpp4
Energy Plot
RMSD Scatter Plot