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

Docking Result

CHEMBL2086615_dpp4

Atoms: 243
Models: 9
Best Energy: -8.547 kcal/mol

Binding Energies:
  • Pose 1: -8.547 kcal/mol
  • Pose 2: -8.095 kcal/mol
  • Pose 3: -7.954 kcal/mol
  • Pose 4: -7.789 kcal/mol
  • Pose 5: -7.735 kcal/mol
  • Pose 6: -7.694 kcal/mol
  • Pose 7: -7.502 kcal/mol
  • Pose 8: -7.468 kcal/mol
  • Pose 9: -7.461 kcal/mol
CHEMBL2086615_dpp4
Energy Plot
RMSD Scatter Plot