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

Docking Result

CHEMBL3329698_dpp4

Atoms: 297
Models: 9
Best Energy: -8.257 kcal/mol

Binding Energies:
  • Pose 1: -8.257 kcal/mol
  • Pose 2: -8.077 kcal/mol
  • Pose 3: -8.016 kcal/mol
  • Pose 4: -7.987 kcal/mol
  • Pose 5: -7.945 kcal/mol
  • Pose 6: -7.943 kcal/mol
  • Pose 7: -7.593 kcal/mol
  • Pose 8: -7.505 kcal/mol
  • Pose 9: -7.432 kcal/mol
CHEMBL3329698_dpp4
Energy Plot
RMSD Scatter Plot