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

Docking Result

CHEMBL2206475_dpp4

Atoms: 342
Models: 9
Best Energy: -9.131 kcal/mol

Binding Energies:
  • Pose 1: -9.131 kcal/mol
  • Pose 2: -8.989 kcal/mol
  • Pose 3: -8.986 kcal/mol
  • Pose 4: -8.915 kcal/mol
  • Pose 5: -8.742 kcal/mol
  • Pose 6: -8.631 kcal/mol
  • Pose 7: -8.616 kcal/mol
  • Pose 8: -8.516 kcal/mol
  • Pose 9: -8.414 kcal/mol
CHEMBL2206475_dpp4
Energy Plot
RMSD Scatter Plot