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

Docking Result

CHEMBL195547_dpp4

Atoms: 288
Models: 9
Best Energy: -8.998 kcal/mol

Binding Energies:
  • Pose 1: -8.998 kcal/mol
  • Pose 2: -8.518 kcal/mol
  • Pose 3: -8.508 kcal/mol
  • Pose 4: -8.292 kcal/mol
  • Pose 5: -8.239 kcal/mol
  • Pose 6: -8.207 kcal/mol
  • Pose 7: -8.098 kcal/mol
  • Pose 8: -8.019 kcal/mol
  • Pose 9: -7.958 kcal/mol
CHEMBL195547_dpp4
Energy Plot
RMSD Scatter Plot