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

Docking Result

CHEMBL4067185_dpp4

Atoms: 423
Models: 9
Best Energy: -8.678 kcal/mol

Binding Energies:
  • Pose 1: -8.678 kcal/mol
  • Pose 2: -8.363 kcal/mol
  • Pose 3: -8.273 kcal/mol
  • Pose 4: -8.103 kcal/mol
  • Pose 5: -7.954 kcal/mol
  • Pose 6: -7.69 kcal/mol
  • Pose 7: -7.689 kcal/mol
  • Pose 8: -7.657 kcal/mol
  • Pose 9: -7.647 kcal/mol
CHEMBL4067185_dpp4
Energy Plot
RMSD Scatter Plot