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

Docking Result

CHEMBL429982_dpp4

Atoms: 252
Models: 9
Best Energy: -7.586 kcal/mol

Binding Energies:
  • Pose 1: -7.586 kcal/mol
  • Pose 2: -7.252 kcal/mol
  • Pose 3: -7.248 kcal/mol
  • Pose 4: -7.184 kcal/mol
  • Pose 5: -7.174 kcal/mol
  • Pose 6: -7.135 kcal/mol
  • Pose 7: -7.113 kcal/mol
  • Pose 8: -6.957 kcal/mol
  • Pose 9: -6.837 kcal/mol
CHEMBL429982_dpp4
Energy Plot
RMSD Scatter Plot