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

Docking Result

CHEMBL404326_dpp4

Atoms: 324
Models: 9
Best Energy: -8.476 kcal/mol

Binding Energies:
  • Pose 1: -8.476 kcal/mol
  • Pose 2: -8.472 kcal/mol
  • Pose 3: -8.417 kcal/mol
  • Pose 4: -8.409 kcal/mol
  • Pose 5: -8.356 kcal/mol
  • Pose 6: -8.11 kcal/mol
  • Pose 7: -8.096 kcal/mol
  • Pose 8: -8.063 kcal/mol
  • Pose 9: -8.011 kcal/mol
CHEMBL404326_dpp4
Energy Plot
RMSD Scatter Plot