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

Docking Result

CHEMBL6148404_dpp4

Atoms: 243
Models: 9
Best Energy: -8.228 kcal/mol

Binding Energies:
  • Pose 1: -8.228 kcal/mol
  • Pose 2: -8.122 kcal/mol
  • Pose 3: -7.925 kcal/mol
  • Pose 4: -7.624 kcal/mol
  • Pose 5: -7.598 kcal/mol
  • Pose 6: -7.595 kcal/mol
  • Pose 7: -7.489 kcal/mol
  • Pose 8: -7.437 kcal/mol
  • Pose 9: -7.364 kcal/mol
CHEMBL6148404_dpp4
Energy Plot
RMSD Scatter Plot