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

Docking Result

CHEMBL1650446_dpp4

Atoms: 234
Models: 9
Best Energy: -7.396 kcal/mol

Binding Energies:
  • Pose 1: -7.396 kcal/mol
  • Pose 2: -7.115 kcal/mol
  • Pose 3: -7.072 kcal/mol
  • Pose 4: -6.972 kcal/mol
  • Pose 5: -6.587 kcal/mol
  • Pose 6: -6.412 kcal/mol
  • Pose 7: -6.333 kcal/mol
  • Pose 8: -6.282 kcal/mol
  • Pose 9: -6.149 kcal/mol
CHEMBL1650446_dpp4
Energy Plot
RMSD Scatter Plot