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

Docking Result

CHEMBL373148_dpp4

Atoms: 306
Models: 9
Best Energy: -7.538 kcal/mol

Binding Energies:
  • Pose 1: -7.538 kcal/mol
  • Pose 2: -7.44 kcal/mol
  • Pose 3: -7.216 kcal/mol
  • Pose 4: -7.213 kcal/mol
  • Pose 5: -7.201 kcal/mol
  • Pose 6: -7.047 kcal/mol
  • Pose 7: -6.991 kcal/mol
  • Pose 8: -6.974 kcal/mol
  • Pose 9: -6.853 kcal/mol
CHEMBL373148_dpp4
Energy Plot
RMSD Scatter Plot