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

Docking Result

CHEMBL5893114_dpp4

Atoms: 333
Models: 9
Best Energy: -9.442 kcal/mol

Binding Energies:
  • Pose 1: -9.442 kcal/mol
  • Pose 2: -9.367 kcal/mol
  • Pose 3: -9.19 kcal/mol
  • Pose 4: -9.035 kcal/mol
  • Pose 5: -8.779 kcal/mol
  • Pose 6: -8.747 kcal/mol
  • Pose 7: -8.682 kcal/mol
  • Pose 8: -8.489 kcal/mol
  • Pose 9: -8.429 kcal/mol
CHEMBL5893114_dpp4
Energy Plot
RMSD Scatter Plot