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

Docking Result

CHEMBL1650448_dpp4

Atoms: 270
Models: 9
Best Energy: -6.232 kcal/mol

Binding Energies:
  • Pose 1: -6.232 kcal/mol
  • Pose 2: -6.124 kcal/mol
  • Pose 3: -5.945 kcal/mol
  • Pose 4: -5.679 kcal/mol
  • Pose 5: -5.586 kcal/mol
  • Pose 6: -5.535 kcal/mol
  • Pose 7: -5.534 kcal/mol
  • Pose 8: -5.405 kcal/mol
  • Pose 9: -5.4 kcal/mol
CHEMBL1650448_dpp4
Energy Plot
RMSD Scatter Plot