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

Docking Result

CHEMBL4443493_dpp4

Atoms: 324
Models: 9
Best Energy: -8.001 kcal/mol

Binding Energies:
  • Pose 1: -8.001 kcal/mol
  • Pose 2: -7.984 kcal/mol
  • Pose 3: -7.828 kcal/mol
  • Pose 4: -7.818 kcal/mol
  • Pose 5: -7.536 kcal/mol
  • Pose 6: -7.367 kcal/mol
  • Pose 7: -7.219 kcal/mol
  • Pose 8: -7.211 kcal/mol
  • Pose 9: -7.185 kcal/mol
CHEMBL4443493_dpp4
Energy Plot
RMSD Scatter Plot