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

Docking Result

CHEMBL5998893_dpp4

Atoms: 387
Models: 9
Best Energy: -9.311 kcal/mol

Binding Energies:
  • Pose 1: -9.311 kcal/mol
  • Pose 2: -9.255 kcal/mol
  • Pose 3: -9.176 kcal/mol
  • Pose 4: -9.011 kcal/mol
  • Pose 5: -8.946 kcal/mol
  • Pose 6: -8.87 kcal/mol
  • Pose 7: -8.82 kcal/mol
  • Pose 8: -8.667 kcal/mol
  • Pose 9: -8.602 kcal/mol
CHEMBL5998893_dpp4
Energy Plot
RMSD Scatter Plot