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

Docking Result

CHEMBL3233833_dpp4

Atoms: 216
Models: 9
Best Energy: -7.652 kcal/mol

Binding Energies:
  • Pose 1: -7.652 kcal/mol
  • Pose 2: -7.541 kcal/mol
  • Pose 3: -7.404 kcal/mol
  • Pose 4: -7.378 kcal/mol
  • Pose 5: -7.259 kcal/mol
  • Pose 6: -7.208 kcal/mol
  • Pose 7: -7.165 kcal/mol
  • Pose 8: -7.152 kcal/mol
  • Pose 9: -7.122 kcal/mol
CHEMBL3233833_dpp4
Energy Plot
RMSD Scatter Plot