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

Docking Result

CHEMBL3909049_dpp4

Atoms: 342
Models: 9
Best Energy: -7.995 kcal/mol

Binding Energies:
  • Pose 1: -7.995 kcal/mol
  • Pose 2: -7.421 kcal/mol
  • Pose 3: -7.226 kcal/mol
  • Pose 4: -7.153 kcal/mol
  • Pose 5: -7.106 kcal/mol
  • Pose 6: -6.984 kcal/mol
  • Pose 7: -6.981 kcal/mol
  • Pose 8: -6.935 kcal/mol
  • Pose 9: -6.915 kcal/mol
CHEMBL3909049_dpp4
Energy Plot
RMSD Scatter Plot