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

Docking Result

CHEMBL2298396_dpp4

Atoms: 234
Models: 9
Best Energy: -7.979 kcal/mol

Binding Energies:
  • Pose 1: -7.979 kcal/mol
  • Pose 2: -7.869 kcal/mol
  • Pose 3: -7.822 kcal/mol
  • Pose 4: -7.693 kcal/mol
  • Pose 5: -7.629 kcal/mol
  • Pose 6: -7.553 kcal/mol
  • Pose 7: -7.51 kcal/mol
  • Pose 8: -7.469 kcal/mol
  • Pose 9: -7.419 kcal/mol
CHEMBL2298396_dpp4
Energy Plot
RMSD Scatter Plot