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

Docking Result

CHEMBL2385286_dpp4

Atoms: 225
Models: 9
Best Energy: -8.002 kcal/mol

Binding Energies:
  • Pose 1: -8.002 kcal/mol
  • Pose 2: -7.963 kcal/mol
  • Pose 3: -7.893 kcal/mol
  • Pose 4: -7.831 kcal/mol
  • Pose 5: -7.768 kcal/mol
  • Pose 6: -7.678 kcal/mol
  • Pose 7: -7.584 kcal/mol
  • Pose 8: -7.579 kcal/mol
  • Pose 9: -7.328 kcal/mol
CHEMBL2385286_dpp4
Energy Plot
RMSD Scatter Plot