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

Docking Result

CHEMBL566628_dpp4

Atoms: 297
Models: 9
Best Energy: -9.105 kcal/mol

Binding Energies:
  • Pose 1: -9.105 kcal/mol
  • Pose 2: -8.986 kcal/mol
  • Pose 3: -8.563 kcal/mol
  • Pose 4: -8.477 kcal/mol
  • Pose 5: -8.38 kcal/mol
  • Pose 6: -8.343 kcal/mol
  • Pose 7: -8.341 kcal/mol
  • Pose 8: -8.322 kcal/mol
  • Pose 9: -8.144 kcal/mol
CHEMBL566628_dpp4
Energy Plot
RMSD Scatter Plot