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

Docking Result

CHEMBL3675624_dpp4

Atoms: 351
Models: 9
Best Energy: -8.958 kcal/mol

Binding Energies:
  • Pose 1: -8.958 kcal/mol
  • Pose 2: -8.945 kcal/mol
  • Pose 3: -8.901 kcal/mol
  • Pose 4: -8.803 kcal/mol
  • Pose 5: -8.695 kcal/mol
  • Pose 6: -8.622 kcal/mol
  • Pose 7: -8.583 kcal/mol
  • Pose 8: -8.383 kcal/mol
  • Pose 9: -8.193 kcal/mol
CHEMBL3675624_dpp4
Energy Plot
RMSD Scatter Plot