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

Docking Result

CHEMBL3735329_dpp4

Atoms: 279
Models: 9
Best Energy: -8.279 kcal/mol

Binding Energies:
  • Pose 1: -8.279 kcal/mol
  • Pose 2: -7.947 kcal/mol
  • Pose 3: -7.876 kcal/mol
  • Pose 4: -7.664 kcal/mol
  • Pose 5: -7.538 kcal/mol
  • Pose 6: -7.477 kcal/mol
  • Pose 7: -7.323 kcal/mol
  • Pose 8: -7.07 kcal/mol
  • Pose 9: -7.04 kcal/mol
CHEMBL3735329_dpp4
Energy Plot
RMSD Scatter Plot