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

Docking Result

CHEMBL480942_dpp4

Atoms: 252
Models: 9
Best Energy: -8.527 kcal/mol

Binding Energies:
  • Pose 1: -8.527 kcal/mol
  • Pose 2: -8.298 kcal/mol
  • Pose 3: -7.958 kcal/mol
  • Pose 4: -7.915 kcal/mol
  • Pose 5: -7.854 kcal/mol
  • Pose 6: -7.819 kcal/mol
  • Pose 7: -7.792 kcal/mol
  • Pose 8: -7.758 kcal/mol
  • Pose 9: -7.729 kcal/mol
CHEMBL480942_dpp4
Energy Plot
RMSD Scatter Plot