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

Docking Result

CHEMBL328694_dpp4

Atoms: 162
Models: 9
Best Energy: -5.185 kcal/mol

Binding Energies:
  • Pose 1: -5.185 kcal/mol
  • Pose 2: -5.154 kcal/mol
  • Pose 3: -5.082 kcal/mol
  • Pose 4: -4.976 kcal/mol
  • Pose 5: -4.97 kcal/mol
  • Pose 6: -4.946 kcal/mol
  • Pose 7: -4.836 kcal/mol
  • Pose 8: -4.68 kcal/mol
  • Pose 9: -4.665 kcal/mol
CHEMBL328694_dpp4
Energy Plot
RMSD Scatter Plot