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

Docking Result

CHEMBL238050_dpp4

Atoms: 405
Models: 9
Best Energy: -9.024 kcal/mol

Binding Energies:
  • Pose 1: -9.024 kcal/mol
  • Pose 2: -8.954 kcal/mol
  • Pose 3: -8.952 kcal/mol
  • Pose 4: -8.859 kcal/mol
  • Pose 5: -8.548 kcal/mol
  • Pose 6: -8.395 kcal/mol
  • Pose 7: -8.152 kcal/mol
  • Pose 8: -8.044 kcal/mol
  • Pose 9: -8.041 kcal/mol
CHEMBL238050_dpp4
Energy Plot
RMSD Scatter Plot