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

Docking Result

CHEMBL1951605_dpp4

Atoms: 351
Models: 9
Best Energy: -8.976 kcal/mol

Binding Energies:
  • Pose 1: -8.976 kcal/mol
  • Pose 2: -8.833 kcal/mol
  • Pose 3: -8.768 kcal/mol
  • Pose 4: -8.605 kcal/mol
  • Pose 5: -8.388 kcal/mol
  • Pose 6: -8.307 kcal/mol
  • Pose 7: -8.271 kcal/mol
  • Pose 8: -8.226 kcal/mol
  • Pose 9: -8.162 kcal/mol
CHEMBL1951605_dpp4
Energy Plot
RMSD Scatter Plot