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

Docking Result

CHEMBL412585_dpp4

Atoms: 270
Models: 9
Best Energy: -8.948 kcal/mol

Binding Energies:
  • Pose 1: -8.948 kcal/mol
  • Pose 2: -8.793 kcal/mol
  • Pose 3: -8.724 kcal/mol
  • Pose 4: -8.587 kcal/mol
  • Pose 5: -8.443 kcal/mol
  • Pose 6: -8.288 kcal/mol
  • Pose 7: -8.214 kcal/mol
  • Pose 8: -8.075 kcal/mol
  • Pose 9: -7.986 kcal/mol
CHEMBL412585_dpp4
Energy Plot
RMSD Scatter Plot