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

Docking Result

CHEMBL3987141_dpp4

Atoms: 369
Models: 9
Best Energy: -8.118 kcal/mol

Binding Energies:
  • Pose 1: -8.118 kcal/mol
  • Pose 2: -8.061 kcal/mol
  • Pose 3: -8.061 kcal/mol
  • Pose 4: -8.028 kcal/mol
  • Pose 5: -7.924 kcal/mol
  • Pose 6: -7.911 kcal/mol
  • Pose 7: -7.871 kcal/mol
  • Pose 8: -7.78 kcal/mol
  • Pose 9: -7.698 kcal/mol
CHEMBL3987141_dpp4
Energy Plot
RMSD Scatter Plot