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

Docking Result

CHEMBL2385294_dpp4

Atoms: 243
Models: 9
Best Energy: -8.412 kcal/mol

Binding Energies:
  • Pose 1: -8.412 kcal/mol
  • Pose 2: -8.228 kcal/mol
  • Pose 3: -8.035 kcal/mol
  • Pose 4: -7.99 kcal/mol
  • Pose 5: -7.978 kcal/mol
  • Pose 6: -7.906 kcal/mol
  • Pose 7: -7.861 kcal/mol
  • Pose 8: -7.786 kcal/mol
  • Pose 9: -7.504 kcal/mol
CHEMBL2385294_dpp4
Energy Plot
RMSD Scatter Plot