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

Docking Result

CHEMBL2022519_dpp4

Atoms: 288
Models: 9
Best Energy: -7.649 kcal/mol

Binding Energies:
  • Pose 1: -7.649 kcal/mol
  • Pose 2: -7.542 kcal/mol
  • Pose 3: -7.437 kcal/mol
  • Pose 4: -7.414 kcal/mol
  • Pose 5: -7.357 kcal/mol
  • Pose 6: -7.287 kcal/mol
  • Pose 7: -7.258 kcal/mol
  • Pose 8: -6.923 kcal/mol
  • Pose 9: -6.851 kcal/mol
CHEMBL2022519_dpp4
Energy Plot
RMSD Scatter Plot