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

Docking Result

CHEMBL5630729_dpp4

Atoms: 243
Models: 9
Best Energy: -7.233 kcal/mol

Binding Energies:
  • Pose 1: -7.233 kcal/mol
  • Pose 2: -6.987 kcal/mol
  • Pose 3: -6.91 kcal/mol
  • Pose 4: -6.889 kcal/mol
  • Pose 5: -6.802 kcal/mol
  • Pose 6: -6.757 kcal/mol
  • Pose 7: -6.733 kcal/mol
  • Pose 8: -6.437 kcal/mol
  • Pose 9: -6.385 kcal/mol
CHEMBL5630729_dpp4
Energy Plot
RMSD Scatter Plot