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

Docking Result

CHEMBL5437013_dpp4

Atoms: 333
Models: 9
Best Energy: -10.154 kcal/mol

Binding Energies:
  • Pose 1: -10.154 kcal/mol
  • Pose 2: -9.464 kcal/mol
  • Pose 3: -9.431 kcal/mol
  • Pose 4: -9.2 kcal/mol
  • Pose 5: -9.089 kcal/mol
  • Pose 6: -9.052 kcal/mol
  • Pose 7: -8.895 kcal/mol
  • Pose 8: -8.663 kcal/mol
  • Pose 9: -8.602 kcal/mol
CHEMBL5437013_dpp4
Energy Plot
RMSD Scatter Plot