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

Docking Result

CHEMBL3644798_dpp4

Atoms: 333
Models: 9
Best Energy: -8.669 kcal/mol

Binding Energies:
  • Pose 1: -8.669 kcal/mol
  • Pose 2: -8.252 kcal/mol
  • Pose 3: -8.105 kcal/mol
  • Pose 4: -7.917 kcal/mol
  • Pose 5: -7.865 kcal/mol
  • Pose 6: -7.847 kcal/mol
  • Pose 7: -7.845 kcal/mol
  • Pose 8: -7.824 kcal/mol
  • Pose 9: -7.795 kcal/mol
CHEMBL3644798_dpp4
Energy Plot
RMSD Scatter Plot