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

Docking Result

CHEMBL1683094_dpp4

Atoms: 333
Models: 9
Best Energy: -9.054 kcal/mol

Binding Energies:
  • Pose 1: -9.054 kcal/mol
  • Pose 2: -9.037 kcal/mol
  • Pose 3: -8.813 kcal/mol
  • Pose 4: -8.708 kcal/mol
  • Pose 5: -8.626 kcal/mol
  • Pose 6: -8.55 kcal/mol
  • Pose 7: -8.502 kcal/mol
  • Pose 8: -8.376 kcal/mol
  • Pose 9: -8.345 kcal/mol
CHEMBL1683094_dpp4
Energy Plot
RMSD Scatter Plot