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

Docking Result

CHEMBL4750433_dpp4

Atoms: 405
Models: 9
Best Energy: -9.643 kcal/mol

Binding Energies:
  • Pose 1: -9.643 kcal/mol
  • Pose 2: -9.383 kcal/mol
  • Pose 3: -9.087 kcal/mol
  • Pose 4: -9.069 kcal/mol
  • Pose 5: -8.934 kcal/mol
  • Pose 6: -8.855 kcal/mol
  • Pose 7: -8.825 kcal/mol
  • Pose 8: -8.551 kcal/mol
  • Pose 9: -8.482 kcal/mol
CHEMBL4750433_dpp4
Energy Plot
RMSD Scatter Plot