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

Docking Result

CHEMBL3675623_dpp4

Atoms: 315
Models: 9
Best Energy: -8.934 kcal/mol

Binding Energies:
  • Pose 1: -8.934 kcal/mol
  • Pose 2: -8.854 kcal/mol
  • Pose 3: -8.644 kcal/mol
  • Pose 4: -8.4 kcal/mol
  • Pose 5: -8.388 kcal/mol
  • Pose 6: -8.336 kcal/mol
  • Pose 7: -8.048 kcal/mol
  • Pose 8: -8.02 kcal/mol
  • Pose 9: -7.899 kcal/mol
CHEMBL3675623_dpp4
Energy Plot
RMSD Scatter Plot