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

Docking Result

CHEMBL2086616_dpp4

Atoms: 261
Models: 9
Best Energy: -8.368 kcal/mol

Binding Energies:
  • Pose 1: -8.368 kcal/mol
  • Pose 2: -8.175 kcal/mol
  • Pose 3: -8.138 kcal/mol
  • Pose 4: -8.083 kcal/mol
  • Pose 5: -8.06 kcal/mol
  • Pose 6: -8.05 kcal/mol
  • Pose 7: -8.045 kcal/mol
  • Pose 8: -7.868 kcal/mol
  • Pose 9: -7.806 kcal/mol
CHEMBL2086616_dpp4
Energy Plot
RMSD Scatter Plot