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

Docking Result

CHEMBL5630400_dpp4

Atoms: 297
Models: 9
Best Energy: -8.803 kcal/mol

Binding Energies:
  • Pose 1: -8.803 kcal/mol
  • Pose 2: -8.465 kcal/mol
  • Pose 3: -8.279 kcal/mol
  • Pose 4: -8.123 kcal/mol
  • Pose 5: -7.999 kcal/mol
  • Pose 6: -7.91 kcal/mol
  • Pose 7: -7.827 kcal/mol
  • Pose 8: -7.695 kcal/mol
  • Pose 9: -7.662 kcal/mol
CHEMBL5630400_dpp4
Energy Plot
RMSD Scatter Plot