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

Docking Result

CHEMBL2069833_dpp4

Atoms: 315
Models: 9
Best Energy: -9.293 kcal/mol

Binding Energies:
  • Pose 1: -9.293 kcal/mol
  • Pose 2: -9.185 kcal/mol
  • Pose 3: -9.135 kcal/mol
  • Pose 4: -8.855 kcal/mol
  • Pose 5: -8.646 kcal/mol
  • Pose 6: -8.632 kcal/mol
  • Pose 7: -8.525 kcal/mol
  • Pose 8: -8.294 kcal/mol
  • Pose 9: -8.166 kcal/mol
CHEMBL2069833_dpp4
Energy Plot
RMSD Scatter Plot