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

Docking Result

CHEMBL179845_dpp4

Atoms: 252
Models: 9
Best Energy: -9.972 kcal/mol

Binding Energies:
  • Pose 1: -9.972 kcal/mol
  • Pose 2: -9.252 kcal/mol
  • Pose 3: -8.822 kcal/mol
  • Pose 4: -8.642 kcal/mol
  • Pose 5: -8.571 kcal/mol
  • Pose 6: -8.558 kcal/mol
  • Pose 7: -8.315 kcal/mol
  • Pose 8: -8.187 kcal/mol
  • Pose 9: -8.087 kcal/mol
CHEMBL179845_dpp4
Energy Plot
RMSD Scatter Plot