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

Docking Result

CHEMBL5279728_dpp4

Atoms: 306
Models: 9
Best Energy: -8.16 kcal/mol

Binding Energies:
  • Pose 1: -8.16 kcal/mol
  • Pose 2: -8.012 kcal/mol
  • Pose 3: -8.007 kcal/mol
  • Pose 4: -7.915 kcal/mol
  • Pose 5: -7.813 kcal/mol
  • Pose 6: -7.78 kcal/mol
  • Pose 7: -7.715 kcal/mol
  • Pose 8: -7.667 kcal/mol
  • Pose 9: -7.59 kcal/mol
CHEMBL5279728_dpp4
Energy Plot
RMSD Scatter Plot