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

Docking Result

CHEMBL3680631_dpp4

Atoms: 396
Models: 9
Best Energy: -9.068 kcal/mol

Binding Energies:
  • Pose 1: -9.068 kcal/mol
  • Pose 2: -8.975 kcal/mol
  • Pose 3: -8.854 kcal/mol
  • Pose 4: -8.816 kcal/mol
  • Pose 5: -8.789 kcal/mol
  • Pose 6: -8.66 kcal/mol
  • Pose 7: -8.419 kcal/mol
  • Pose 8: -8.378 kcal/mol
  • Pose 9: -8.118 kcal/mol
CHEMBL3680631_dpp4
Energy Plot
RMSD Scatter Plot