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

Docking Result

CHEMBL3233845_dpp4

Atoms: 252
Models: 9
Best Energy: -8.642 kcal/mol

Binding Energies:
  • Pose 1: -8.642 kcal/mol
  • Pose 2: -8.514 kcal/mol
  • Pose 3: -8.503 kcal/mol
  • Pose 4: -8.246 kcal/mol
  • Pose 5: -8.14 kcal/mol
  • Pose 6: -8.093 kcal/mol
  • Pose 7: -7.959 kcal/mol
  • Pose 8: -7.935 kcal/mol
  • Pose 9: -7.711 kcal/mol
CHEMBL3233845_dpp4
Energy Plot
RMSD Scatter Plot