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

Docking Result

CHEMBL5219451_dpp4

Atoms: 198
Models: 9
Best Energy: -6.891 kcal/mol

Binding Energies:
  • Pose 1: -6.891 kcal/mol
  • Pose 2: -6.822 kcal/mol
  • Pose 3: -6.768 kcal/mol
  • Pose 4: -6.715 kcal/mol
  • Pose 5: -6.656 kcal/mol
  • Pose 6: -6.602 kcal/mol
  • Pose 7: -6.516 kcal/mol
  • Pose 8: -6.515 kcal/mol
  • Pose 9: -6.394 kcal/mol
CHEMBL5219451_dpp4
Energy Plot
RMSD Scatter Plot