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

Docking Result

CHEMBL1085522_dpp4

Atoms: 243
Models: 9
Best Energy: -7.437 kcal/mol

Binding Energies:
  • Pose 1: -7.437 kcal/mol
  • Pose 2: -7.287 kcal/mol
  • Pose 3: -7.245 kcal/mol
  • Pose 4: -6.998 kcal/mol
  • Pose 5: -6.962 kcal/mol
  • Pose 6: -6.773 kcal/mol
  • Pose 7: -6.673 kcal/mol
  • Pose 8: -6.629 kcal/mol
  • Pose 9: -6.553 kcal/mol
CHEMBL1085522_dpp4
Energy Plot
RMSD Scatter Plot