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

Docking Result

CHEMBL5282009_dpp4

Atoms: 252
Models: 9
Best Energy: -7.541 kcal/mol

Binding Energies:
  • Pose 1: -7.541 kcal/mol
  • Pose 2: -7.396 kcal/mol
  • Pose 3: -7.35 kcal/mol
  • Pose 4: -7.306 kcal/mol
  • Pose 5: -7.099 kcal/mol
  • Pose 6: -6.894 kcal/mol
  • Pose 7: -6.88 kcal/mol
  • Pose 8: -6.756 kcal/mol
  • Pose 9: -6.639 kcal/mol
CHEMBL5282009_dpp4
Energy Plot
RMSD Scatter Plot