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

Docking Result

CHEMBL366751_dpp4

Atoms: 288
Models: 9
Best Energy: -8.565 kcal/mol

Binding Energies:
  • Pose 1: -8.565 kcal/mol
  • Pose 2: -8.243 kcal/mol
  • Pose 3: -8.235 kcal/mol
  • Pose 4: -8.165 kcal/mol
  • Pose 5: -7.976 kcal/mol
  • Pose 6: -7.954 kcal/mol
  • Pose 7: -7.954 kcal/mol
  • Pose 8: -7.95 kcal/mol
  • Pose 9: -7.888 kcal/mol
CHEMBL366751_dpp4
Energy Plot
RMSD Scatter Plot