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

Docking Result

CHEMBL3616892_dpp4

Atoms: 306
Models: 9
Best Energy: -8.977 kcal/mol

Binding Energies:
  • Pose 1: -8.977 kcal/mol
  • Pose 2: -8.663 kcal/mol
  • Pose 3: -8.581 kcal/mol
  • Pose 4: -8.571 kcal/mol
  • Pose 5: -8.525 kcal/mol
  • Pose 6: -8.464 kcal/mol
  • Pose 7: -8.379 kcal/mol
  • Pose 8: -8.335 kcal/mol
  • Pose 9: -8.029 kcal/mol
CHEMBL3616892_dpp4
Energy Plot
RMSD Scatter Plot