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

Docking Result

CHEMBL4465057_dpp4

Atoms: 324
Models: 9
Best Energy: -7.867 kcal/mol

Binding Energies:
  • Pose 1: -7.867 kcal/mol
  • Pose 2: -7.815 kcal/mol
  • Pose 3: -7.757 kcal/mol
  • Pose 4: -7.751 kcal/mol
  • Pose 5: -7.698 kcal/mol
  • Pose 6: -7.624 kcal/mol
  • Pose 7: -7.506 kcal/mol
  • Pose 8: -7.308 kcal/mol
  • Pose 9: -7.269 kcal/mol
CHEMBL4465057_dpp4
Energy Plot
RMSD Scatter Plot