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

Docking Result

CHEMBL1683568_dpp4

Atoms: 252
Models: 9
Best Energy: -8.222 kcal/mol

Binding Energies:
  • Pose 1: -8.222 kcal/mol
  • Pose 2: -7.912 kcal/mol
  • Pose 3: -7.682 kcal/mol
  • Pose 4: -7.628 kcal/mol
  • Pose 5: -7.569 kcal/mol
  • Pose 6: -7.44 kcal/mol
  • Pose 7: -7.412 kcal/mol
  • Pose 8: -7.372 kcal/mol
  • Pose 9: -7.246 kcal/mol
CHEMBL1683568_dpp4
Energy Plot
RMSD Scatter Plot