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

Docking Result

CHEMBL3329702_dpp4

Atoms: 306
Models: 9
Best Energy: -8.406 kcal/mol

Binding Energies:
  • Pose 1: -8.406 kcal/mol
  • Pose 2: -8.381 kcal/mol
  • Pose 3: -8.295 kcal/mol
  • Pose 4: -8.261 kcal/mol
  • Pose 5: -8.193 kcal/mol
  • Pose 6: -8.103 kcal/mol
  • Pose 7: -7.945 kcal/mol
  • Pose 8: -7.826 kcal/mol
  • Pose 9: -7.783 kcal/mol
CHEMBL3329702_dpp4
Energy Plot
RMSD Scatter Plot