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

Docking Result

CHEMBL509777_dpp4

Atoms: 180
Models: 9
Best Energy: -7.664 kcal/mol

Binding Energies:
  • Pose 1: -7.664 kcal/mol
  • Pose 2: -7.416 kcal/mol
  • Pose 3: -7.377 kcal/mol
  • Pose 4: -7.155 kcal/mol
  • Pose 5: -7.115 kcal/mol
  • Pose 6: -7.077 kcal/mol
  • Pose 7: -7.045 kcal/mol
  • Pose 8: -7.022 kcal/mol
  • Pose 9: -6.681 kcal/mol
CHEMBL509777_dpp4
Energy Plot
RMSD Scatter Plot