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

Docking Result

CHEMBL3329699_dpp4

Atoms: 256
Models: 8
Best Energy: -7.892 kcal/mol

Binding Energies:
  • Pose 1: -7.892 kcal/mol
  • Pose 2: -7.753 kcal/mol
  • Pose 3: -7.56 kcal/mol
  • Pose 4: -7.511 kcal/mol
  • Pose 5: -7.479 kcal/mol
  • Pose 6: -7.382 kcal/mol
  • Pose 7: -7.358 kcal/mol
  • Pose 8: -7.151 kcal/mol
CHEMBL3329699_dpp4
Energy Plot
RMSD Scatter Plot