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

Docking Result

CHEMBL5902002_dpp4

Atoms: 243
Models: 9
Best Energy: -8.776 kcal/mol

Binding Energies:
  • Pose 1: -8.776 kcal/mol
  • Pose 2: -7.759 kcal/mol
  • Pose 3: -7.705 kcal/mol
  • Pose 4: -7.677 kcal/mol
  • Pose 5: -7.656 kcal/mol
  • Pose 6: -7.324 kcal/mol
  • Pose 7: -7.096 kcal/mol
  • Pose 8: -7.079 kcal/mol
  • Pose 9: -6.795 kcal/mol
CHEMBL5902002_dpp4
Energy Plot
RMSD Scatter Plot