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

Docking Result

CHEMBL4465448_dpp4

Atoms: 333
Models: 9
Best Energy: -8.841 kcal/mol

Binding Energies:
  • Pose 1: -8.841 kcal/mol
  • Pose 2: -8.419 kcal/mol
  • Pose 3: -8.225 kcal/mol
  • Pose 4: -8.077 kcal/mol
  • Pose 5: -8.035 kcal/mol
  • Pose 6: -7.961 kcal/mol
  • Pose 7: -7.95 kcal/mol
  • Pose 8: -7.874 kcal/mol
  • Pose 9: -7.861 kcal/mol
CHEMBL4465448_dpp4
Energy Plot
RMSD Scatter Plot