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

Docking Result

CHEMBL3644789_dpp4

Atoms: 342
Models: 9
Best Energy: -8.896 kcal/mol

Binding Energies:
  • Pose 1: -8.896 kcal/mol
  • Pose 2: -8.655 kcal/mol
  • Pose 3: -8.628 kcal/mol
  • Pose 4: -8.577 kcal/mol
  • Pose 5: -8.522 kcal/mol
  • Pose 6: -8.441 kcal/mol
  • Pose 7: -8.399 kcal/mol
  • Pose 8: -8.283 kcal/mol
  • Pose 9: -8.182 kcal/mol
CHEMBL3644789_dpp4
Energy Plot
RMSD Scatter Plot