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

Docking Result

CHEMBL232920_dpp4

Atoms: 216
Models: 9
Best Energy: -7.078 kcal/mol

Binding Energies:
  • Pose 1: -7.078 kcal/mol
  • Pose 2: -7.004 kcal/mol
  • Pose 3: -6.918 kcal/mol
  • Pose 4: -6.91 kcal/mol
  • Pose 5: -6.781 kcal/mol
  • Pose 6: -6.707 kcal/mol
  • Pose 7: -6.603 kcal/mol
  • Pose 8: -6.56 kcal/mol
  • Pose 9: -6.34 kcal/mol
CHEMBL232920_dpp4
Energy Plot
RMSD Scatter Plot