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

Docking Result

CHEMBL3425745_dpp4

Atoms: 279
Models: 9
Best Energy: -8.719 kcal/mol

Binding Energies:
  • Pose 1: -8.719 kcal/mol
  • Pose 2: -8.609 kcal/mol
  • Pose 3: -8.321 kcal/mol
  • Pose 4: -8.285 kcal/mol
  • Pose 5: -8.234 kcal/mol
  • Pose 6: -8.191 kcal/mol
  • Pose 7: -8.182 kcal/mol
  • Pose 8: -7.832 kcal/mol
  • Pose 9: -7.559 kcal/mol
CHEMBL3425745_dpp4
Energy Plot
RMSD Scatter Plot