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

Docking Result

CHEMBL392163_dpp4

Atoms: 513
Models: 9
Best Energy: -8.646 kcal/mol

Binding Energies:
  • Pose 1: -8.646 kcal/mol
  • Pose 2: -8.574 kcal/mol
  • Pose 3: -8.383 kcal/mol
  • Pose 4: -8.291 kcal/mol
  • Pose 5: -8.19 kcal/mol
  • Pose 6: -8.124 kcal/mol
  • Pose 7: -8.012 kcal/mol
  • Pose 8: -7.983 kcal/mol
  • Pose 9: -7.825 kcal/mol
CHEMBL392163_dpp4
Energy Plot
RMSD Scatter Plot