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

Docking Result

CHEMBL216203_dpp4

Atoms: 252
Models: 9
Best Energy: -7.805 kcal/mol

Binding Energies:
  • Pose 1: -7.805 kcal/mol
  • Pose 2: -7.554 kcal/mol
  • Pose 3: -7.505 kcal/mol
  • Pose 4: -7.485 kcal/mol
  • Pose 5: -7.347 kcal/mol
  • Pose 6: -7.244 kcal/mol
  • Pose 7: -7.198 kcal/mol
  • Pose 8: -7.085 kcal/mol
  • Pose 9: -7.007 kcal/mol
CHEMBL216203_dpp4
Energy Plot
RMSD Scatter Plot