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

Docking Result

CHEMBL3402129_dpp4

Atoms: 378
Models: 9
Best Energy: -8.693 kcal/mol

Binding Energies:
  • Pose 1: -8.693 kcal/mol
  • Pose 2: -8.581 kcal/mol
  • Pose 3: -8.498 kcal/mol
  • Pose 4: -8.388 kcal/mol
  • Pose 5: -8.366 kcal/mol
  • Pose 6: -8.262 kcal/mol
  • Pose 7: -8.11 kcal/mol
  • Pose 8: -8.082 kcal/mol
  • Pose 9: -8.016 kcal/mol
CHEMBL3402129_dpp4
Energy Plot
RMSD Scatter Plot