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

Docking Result

CHEMBL232316_dpp4

Atoms: 189
Models: 9
Best Energy: -6.977 kcal/mol

Binding Energies:
  • Pose 1: -6.977 kcal/mol
  • Pose 2: -6.755 kcal/mol
  • Pose 3: -6.582 kcal/mol
  • Pose 4: -6.423 kcal/mol
  • Pose 5: -6.379 kcal/mol
  • Pose 6: -6.286 kcal/mol
  • Pose 7: -6.264 kcal/mol
  • Pose 8: -5.853 kcal/mol
  • Pose 9: -5.804 kcal/mol
CHEMBL232316_dpp4
Energy Plot
RMSD Scatter Plot