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

Docking Result

CHEMBL3944427_dpp4

Atoms: 288
Models: 9
Best Energy: -8.56 kcal/mol

Binding Energies:
  • Pose 1: -8.56 kcal/mol
  • Pose 2: -8.158 kcal/mol
  • Pose 3: -8.051 kcal/mol
  • Pose 4: -7.96 kcal/mol
  • Pose 5: -7.892 kcal/mol
  • Pose 6: -7.808 kcal/mol
  • Pose 7: -7.804 kcal/mol
  • Pose 8: -7.673 kcal/mol
  • Pose 9: -7.627 kcal/mol
CHEMBL3944427_dpp4
Energy Plot
RMSD Scatter Plot