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

Docking Result

CHEMBL4465374_dpp4

Atoms: 333
Models: 9
Best Energy: -7.919 kcal/mol

Binding Energies:
  • Pose 1: -7.919 kcal/mol
  • Pose 2: -7.853 kcal/mol
  • Pose 3: -7.74 kcal/mol
  • Pose 4: -7.581 kcal/mol
  • Pose 5: -7.533 kcal/mol
  • Pose 6: -7.532 kcal/mol
  • Pose 7: -7.256 kcal/mol
  • Pose 8: -7.215 kcal/mol
  • Pose 9: -7.189 kcal/mol
CHEMBL4465374_dpp4
Energy Plot
RMSD Scatter Plot