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

Docking Result

CHEMBL3892398_dpp4

Atoms: 208
Models: 8
Best Energy: -8.388 kcal/mol

Binding Energies:
  • Pose 1: -8.388 kcal/mol
  • Pose 2: -8.03 kcal/mol
  • Pose 3: -7.967 kcal/mol
  • Pose 4: -7.812 kcal/mol
  • Pose 5: -7.74 kcal/mol
  • Pose 6: -7.737 kcal/mol
  • Pose 7: -7.596 kcal/mol
  • Pose 8: -7.54 kcal/mol
CHEMBL3892398_dpp4
Energy Plot
RMSD Scatter Plot