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

Docking Result

CHEMBL3233553_dpp4

Atoms: 200
Models: 8
Best Energy: -8.103 kcal/mol

Binding Energies:
  • Pose 1: -8.103 kcal/mol
  • Pose 2: -8.002 kcal/mol
  • Pose 3: -7.968 kcal/mol
  • Pose 4: -7.965 kcal/mol
  • Pose 5: -7.901 kcal/mol
  • Pose 6: -7.789 kcal/mol
  • Pose 7: -7.787 kcal/mol
  • Pose 8: -7.553 kcal/mol
CHEMBL3233553_dpp4
Energy Plot
RMSD Scatter Plot