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

Docking Result

CHEMBL5277626_dpp4

Atoms: 243
Models: 9
Best Energy: -7.121 kcal/mol

Binding Energies:
  • Pose 1: -7.121 kcal/mol
  • Pose 2: -6.901 kcal/mol
  • Pose 3: -6.808 kcal/mol
  • Pose 4: -6.759 kcal/mol
  • Pose 5: -6.736 kcal/mol
  • Pose 6: -6.715 kcal/mol
  • Pose 7: -6.607 kcal/mol
  • Pose 8: -6.522 kcal/mol
  • Pose 9: -6.483 kcal/mol
CHEMBL5277626_dpp4
Energy Plot
RMSD Scatter Plot