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

Docking Result

CHEMBL3805353_dpp4

Atoms: 261
Models: 9
Best Energy: -8.012 kcal/mol

Binding Energies:
  • Pose 1: -8.012 kcal/mol
  • Pose 2: -7.99 kcal/mol
  • Pose 3: -7.968 kcal/mol
  • Pose 4: -7.965 kcal/mol
  • Pose 5: -7.939 kcal/mol
  • Pose 6: -7.874 kcal/mol
  • Pose 7: -7.685 kcal/mol
  • Pose 8: -7.638 kcal/mol
  • Pose 9: -7.526 kcal/mol
CHEMBL3805353_dpp4
Energy Plot
RMSD Scatter Plot