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

Docking Result

CHEMBL3233565_dpp4

Atoms: 180
Models: 9
Best Energy: -6.376 kcal/mol

Binding Energies:
  • Pose 1: -6.376 kcal/mol
  • Pose 2: -6.352 kcal/mol
  • Pose 3: -6.323 kcal/mol
  • Pose 4: -6.255 kcal/mol
  • Pose 5: -6.168 kcal/mol
  • Pose 6: -6.165 kcal/mol
  • Pose 7: -6.056 kcal/mol
  • Pose 8: -6.003 kcal/mol
  • Pose 9: -5.839 kcal/mol
CHEMBL3233565_dpp4
Energy Plot
RMSD Scatter Plot