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

Docking Result

CHEMBL3329639_dpp4

Atoms: 297
Models: 9
Best Energy: -8.407 kcal/mol

Binding Energies:
  • Pose 1: -8.407 kcal/mol
  • Pose 2: -8.321 kcal/mol
  • Pose 3: -8.156 kcal/mol
  • Pose 4: -7.981 kcal/mol
  • Pose 5: -7.909 kcal/mol
  • Pose 6: -7.749 kcal/mol
  • Pose 7: -7.748 kcal/mol
  • Pose 8: -7.739 kcal/mol
  • Pose 9: -7.689 kcal/mol
CHEMBL3329639_dpp4
Energy Plot
RMSD Scatter Plot