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

Docking Result

CHEMBL378421_dpp4

Atoms: 243
Models: 9
Best Energy: -8.075 kcal/mol

Binding Energies:
  • Pose 1: -8.075 kcal/mol
  • Pose 2: -8.067 kcal/mol
  • Pose 3: -8.064 kcal/mol
  • Pose 4: -7.995 kcal/mol
  • Pose 5: -7.935 kcal/mol
  • Pose 6: -7.812 kcal/mol
  • Pose 7: -7.812 kcal/mol
  • Pose 8: -7.782 kcal/mol
  • Pose 9: -7.541 kcal/mol
CHEMBL378421_dpp4
Energy Plot
RMSD Scatter Plot