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

Docking Result

CHEMBL2206476_dpp4

Atoms: 342
Models: 9
Best Energy: -8.37 kcal/mol

Binding Energies:
  • Pose 1: -8.37 kcal/mol
  • Pose 2: -8.259 kcal/mol
  • Pose 3: -7.97 kcal/mol
  • Pose 4: -7.916 kcal/mol
  • Pose 5: -7.91 kcal/mol
  • Pose 6: -7.888 kcal/mol
  • Pose 7: -7.827 kcal/mol
  • Pose 8: -7.813 kcal/mol
  • Pose 9: -7.726 kcal/mol
CHEMBL2206476_dpp4
Energy Plot
RMSD Scatter Plot