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

Docking Result

CHEMBL3948679_dpp4

Atoms: 360
Models: 9
Best Energy: -9.029 kcal/mol

Binding Energies:
  • Pose 1: -9.029 kcal/mol
  • Pose 2: -8.74 kcal/mol
  • Pose 3: -8.649 kcal/mol
  • Pose 4: -8.582 kcal/mol
  • Pose 5: -8.566 kcal/mol
  • Pose 6: -8.473 kcal/mol
  • Pose 7: -8.283 kcal/mol
  • Pose 8: -8.26 kcal/mol
  • Pose 9: -8.159 kcal/mol
CHEMBL3948679_dpp4
Energy Plot
RMSD Scatter Plot