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

Docking Result

CHEMBL1650426_dpp4

Atoms: 243
Models: 9
Best Energy: -7.516 kcal/mol

Binding Energies:
  • Pose 1: -7.516 kcal/mol
  • Pose 2: -7.435 kcal/mol
  • Pose 3: -7.399 kcal/mol
  • Pose 4: -7.227 kcal/mol
  • Pose 5: -7.142 kcal/mol
  • Pose 6: -7.001 kcal/mol
  • Pose 7: -6.837 kcal/mol
  • Pose 8: -6.756 kcal/mol
  • Pose 9: -6.705 kcal/mol
CHEMBL1650426_dpp4
Energy Plot
RMSD Scatter Plot