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

Docking Result

CHEMBL2022520_dpp4

Atoms: 351
Models: 9
Best Energy: -9.195 kcal/mol

Binding Energies:
  • Pose 1: -9.195 kcal/mol
  • Pose 2: -9.037 kcal/mol
  • Pose 3: -8.996 kcal/mol
  • Pose 4: -8.757 kcal/mol
  • Pose 5: -8.69 kcal/mol
  • Pose 6: -8.585 kcal/mol
  • Pose 7: -8.399 kcal/mol
  • Pose 8: -8.365 kcal/mol
  • Pose 9: -8.326 kcal/mol
CHEMBL2022520_dpp4
Energy Plot
RMSD Scatter Plot