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

Docking Result

CHEMBL2206477_dpp4

Atoms: 342
Models: 9
Best Energy: -8.563 kcal/mol

Binding Energies:
  • Pose 1: -8.563 kcal/mol
  • Pose 2: -8.523 kcal/mol
  • Pose 3: -8.517 kcal/mol
  • Pose 4: -8.507 kcal/mol
  • Pose 5: -8.46 kcal/mol
  • Pose 6: -8.244 kcal/mol
  • Pose 7: -8.158 kcal/mol
  • Pose 8: -8.07 kcal/mol
  • Pose 9: -8.06 kcal/mol
CHEMBL2206477_dpp4
Energy Plot
RMSD Scatter Plot