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

Docking Result

CHEMBL549296_dpp4

Atoms: 315
Models: 9
Best Energy: -8.199 kcal/mol

Binding Energies:
  • Pose 1: -8.199 kcal/mol
  • Pose 2: -8.038 kcal/mol
  • Pose 3: -7.861 kcal/mol
  • Pose 4: -7.846 kcal/mol
  • Pose 5: -7.711 kcal/mol
  • Pose 6: -7.482 kcal/mol
  • Pose 7: -7.46 kcal/mol
  • Pose 8: -7.453 kcal/mol
  • Pose 9: -7.452 kcal/mol
CHEMBL549296_dpp4
Energy Plot
RMSD Scatter Plot