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

Docking Result

CHEMBL203032_dpp4

Atoms: 252
Models: 9
Best Energy: -7.362 kcal/mol

Binding Energies:
  • Pose 1: -7.362 kcal/mol
  • Pose 2: -7.004 kcal/mol
  • Pose 3: -6.78 kcal/mol
  • Pose 4: -6.59 kcal/mol
  • Pose 5: -6.586 kcal/mol
  • Pose 6: -6.518 kcal/mol
  • Pose 7: -6.448 kcal/mol
  • Pose 8: -6.267 kcal/mol
  • Pose 9: -6.211 kcal/mol
CHEMBL203032_dpp4
Energy Plot
RMSD Scatter Plot