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

Docking Result

CHEMBL5858632_dpp4

Atoms: 396
Models: 9
Best Energy: -10.123 kcal/mol

Binding Energies:
  • Pose 1: -10.123 kcal/mol
  • Pose 2: -9.875 kcal/mol
  • Pose 3: -9.742 kcal/mol
  • Pose 4: -9.418 kcal/mol
  • Pose 5: -9.367 kcal/mol
  • Pose 6: -9.266 kcal/mol
  • Pose 7: -9.048 kcal/mol
  • Pose 8: -8.978 kcal/mol
  • Pose 9: -8.974 kcal/mol
CHEMBL5858632_dpp4
Energy Plot
RMSD Scatter Plot