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

Docking Result

CHEMBL190029_dpp4

Atoms: 270
Models: 9
Best Energy: -7.956 kcal/mol

Binding Energies:
  • Pose 1: -7.956 kcal/mol
  • Pose 2: -7.91 kcal/mol
  • Pose 3: -7.889 kcal/mol
  • Pose 4: -7.796 kcal/mol
  • Pose 5: -7.758 kcal/mol
  • Pose 6: -7.734 kcal/mol
  • Pose 7: -7.73 kcal/mol
  • Pose 8: -7.498 kcal/mol
  • Pose 9: -7.131 kcal/mol
CHEMBL190029_dpp4
Energy Plot
RMSD Scatter Plot