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

Docking Result

CHEMBL278558_dpp4

Atoms: 261
Models: 9
Best Energy: -8.352 kcal/mol

Binding Energies:
  • Pose 1: -8.352 kcal/mol
  • Pose 2: -7.98 kcal/mol
  • Pose 3: -7.783 kcal/mol
  • Pose 4: -7.68 kcal/mol
  • Pose 5: -7.666 kcal/mol
  • Pose 6: -7.526 kcal/mol
  • Pose 7: -7.516 kcal/mol
  • Pose 8: -7.46 kcal/mol
  • Pose 9: -7.406 kcal/mol
CHEMBL278558_dpp4
Energy Plot
RMSD Scatter Plot