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

Docking Result

CHEMBL4868869_dpp4

Atoms: 333
Models: 9
Best Energy: -8.303 kcal/mol

Binding Energies:
  • Pose 1: -8.303 kcal/mol
  • Pose 2: -8.279 kcal/mol
  • Pose 3: -8.206 kcal/mol
  • Pose 4: -7.997 kcal/mol
  • Pose 5: -7.741 kcal/mol
  • Pose 6: -7.737 kcal/mol
  • Pose 7: -7.65 kcal/mol
  • Pose 8: -7.563 kcal/mol
  • Pose 9: -7.529 kcal/mol
CHEMBL4868869_dpp4
Energy Plot
RMSD Scatter Plot