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

Docking Result

CHEMBL357606_dpp4

Atoms: 135
Models: 9
Best Energy: -5.003 kcal/mol

Binding Energies:
  • Pose 1: -5.003 kcal/mol
  • Pose 2: -4.828 kcal/mol
  • Pose 3: -4.78 kcal/mol
  • Pose 4: -4.765 kcal/mol
  • Pose 5: -4.733 kcal/mol
  • Pose 6: -4.725 kcal/mol
  • Pose 7: -4.685 kcal/mol
  • Pose 8: -4.632 kcal/mol
  • Pose 9: -4.365 kcal/mol
CHEMBL357606_dpp4
Energy Plot
RMSD Scatter Plot