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

Docking Result

CHEMBL3644784_dpp4

Atoms: 324
Models: 9
Best Energy: -8.44 kcal/mol

Binding Energies:
  • Pose 1: -8.44 kcal/mol
  • Pose 2: -8.358 kcal/mol
  • Pose 3: -8.347 kcal/mol
  • Pose 4: -8.268 kcal/mol
  • Pose 5: -8.112 kcal/mol
  • Pose 6: -8.097 kcal/mol
  • Pose 7: -8.069 kcal/mol
  • Pose 8: -8.064 kcal/mol
  • Pose 9: -8.048 kcal/mol
CHEMBL3644784_dpp4
Energy Plot
RMSD Scatter Plot