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

Docking Result

CHEMBL3959577_dpp4

Atoms: 252
Models: 9
Best Energy: -8.379 kcal/mol

Binding Energies:
  • Pose 1: -8.379 kcal/mol
  • Pose 2: -8.354 kcal/mol
  • Pose 3: -8.227 kcal/mol
  • Pose 4: -8.083 kcal/mol
  • Pose 5: -7.936 kcal/mol
  • Pose 6: -7.893 kcal/mol
  • Pose 7: -7.879 kcal/mol
  • Pose 8: -7.765 kcal/mol
  • Pose 9: -7.704 kcal/mol
CHEMBL3959577_dpp4
Energy Plot
RMSD Scatter Plot