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

Docking Result

CHEMBL4164893_dpp4

Atoms: 288
Models: 9
Best Energy: -8.728 kcal/mol

Binding Energies:
  • Pose 1: -8.728 kcal/mol
  • Pose 2: -8.686 kcal/mol
  • Pose 3: -8.581 kcal/mol
  • Pose 4: -8.541 kcal/mol
  • Pose 5: -8.461 kcal/mol
  • Pose 6: -8.344 kcal/mol
  • Pose 7: -8.258 kcal/mol
  • Pose 8: -8.221 kcal/mol
  • Pose 9: -8.159 kcal/mol
CHEMBL4164893_dpp4
Energy Plot
RMSD Scatter Plot