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

Docking Result

CHEMBL288114_dpp4

Atoms: 144
Models: 9
Best Energy: -6.069 kcal/mol

Binding Energies:
  • Pose 1: -6.069 kcal/mol
  • Pose 2: -6.062 kcal/mol
  • Pose 3: -5.69 kcal/mol
  • Pose 4: -5.572 kcal/mol
  • Pose 5: -5.42 kcal/mol
  • Pose 6: -5.404 kcal/mol
  • Pose 7: -5.403 kcal/mol
  • Pose 8: -5.381 kcal/mol
  • Pose 9: -5.379 kcal/mol
CHEMBL288114_dpp4
Energy Plot
RMSD Scatter Plot