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

Docking Result

CHEMBL1779692_dpp4

Atoms: 288
Models: 9
Best Energy: -8.176 kcal/mol

Binding Energies:
  • Pose 1: -8.176 kcal/mol
  • Pose 2: -7.906 kcal/mol
  • Pose 3: -7.845 kcal/mol
  • Pose 4: -7.698 kcal/mol
  • Pose 5: -7.609 kcal/mol
  • Pose 6: -7.577 kcal/mol
  • Pose 7: -7.567 kcal/mol
  • Pose 8: -7.513 kcal/mol
  • Pose 9: -7.398 kcal/mol
CHEMBL1779692_dpp4
Energy Plot
RMSD Scatter Plot