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

Docking Result

CHEMBL3233559_dpp4

Atoms: 270
Models: 9
Best Energy: -8.31 kcal/mol

Binding Energies:
  • Pose 1: -8.31 kcal/mol
  • Pose 2: -8.095 kcal/mol
  • Pose 3: -8.082 kcal/mol
  • Pose 4: -7.566 kcal/mol
  • Pose 5: -7.509 kcal/mol
  • Pose 6: -7.35 kcal/mol
  • Pose 7: -7.349 kcal/mol
  • Pose 8: -7.319 kcal/mol
  • Pose 9: -7.266 kcal/mol
CHEMBL3233559_dpp4
Energy Plot
RMSD Scatter Plot