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

Docking Result

CHEMBL5276961_dpp4

Atoms: 279
Models: 9
Best Energy: -8.158 kcal/mol

Binding Energies:
  • Pose 1: -8.158 kcal/mol
  • Pose 2: -8.11 kcal/mol
  • Pose 3: -8.071 kcal/mol
  • Pose 4: -7.701 kcal/mol
  • Pose 5: -7.548 kcal/mol
  • Pose 6: -7.515 kcal/mol
  • Pose 7: -7.501 kcal/mol
  • Pose 8: -7.479 kcal/mol
  • Pose 9: -7.415 kcal/mol
CHEMBL5276961_dpp4
Energy Plot
RMSD Scatter Plot