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

Docking Result

CHEMBL3233544_dpp4

Atoms: 279
Models: 9
Best Energy: -8.651 kcal/mol

Binding Energies:
  • Pose 1: -8.651 kcal/mol
  • Pose 2: -8.614 kcal/mol
  • Pose 3: -8.502 kcal/mol
  • Pose 4: -8.44 kcal/mol
  • Pose 5: -8.109 kcal/mol
  • Pose 6: -8.09 kcal/mol
  • Pose 7: -7.997 kcal/mol
  • Pose 8: -7.853 kcal/mol
  • Pose 9: -7.654 kcal/mol
CHEMBL3233544_dpp4
Energy Plot
RMSD Scatter Plot