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

Docking Result

CHEMBL3329636_dpp4

Atoms: 252
Models: 9
Best Energy: -7.974 kcal/mol

Binding Energies:
  • Pose 1: -7.974 kcal/mol
  • Pose 2: -7.751 kcal/mol
  • Pose 3: -7.707 kcal/mol
  • Pose 4: -7.677 kcal/mol
  • Pose 5: -7.492 kcal/mol
  • Pose 6: -7.325 kcal/mol
  • Pose 7: -7.311 kcal/mol
  • Pose 8: -7.158 kcal/mol
  • Pose 9: -7.141 kcal/mol
CHEMBL3329636_dpp4
Energy Plot
RMSD Scatter Plot