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

Docking Result

CHEMBL3813856_dpp4

Atoms: 315
Models: 9
Best Energy: -7.966 kcal/mol

Binding Energies:
  • Pose 1: -7.966 kcal/mol
  • Pose 2: -7.779 kcal/mol
  • Pose 3: -7.764 kcal/mol
  • Pose 4: -7.744 kcal/mol
  • Pose 5: -7.646 kcal/mol
  • Pose 6: -7.599 kcal/mol
  • Pose 7: -7.472 kcal/mol
  • Pose 8: -7.312 kcal/mol
  • Pose 9: -7.308 kcal/mol
CHEMBL3813856_dpp4
Energy Plot
RMSD Scatter Plot