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

Docking Result

CHEMBL2022507_dpp4

Atoms: 198
Models: 9
Best Energy: -7.75 kcal/mol

Binding Energies:
  • Pose 1: -7.75 kcal/mol
  • Pose 2: -7.481 kcal/mol
  • Pose 3: -7.174 kcal/mol
  • Pose 4: -7.125 kcal/mol
  • Pose 5: -7.05 kcal/mol
  • Pose 6: -7.038 kcal/mol
  • Pose 7: -6.954 kcal/mol
  • Pose 8: -6.947 kcal/mol
  • Pose 9: -6.943 kcal/mol
CHEMBL2022507_dpp4
Energy Plot
RMSD Scatter Plot