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

Docking Result

CHEMBL3329641_dpp4

Atoms: 252
Models: 9
Best Energy: -7.973 kcal/mol

Binding Energies:
  • Pose 1: -7.973 kcal/mol
  • Pose 2: -7.832 kcal/mol
  • Pose 3: -7.663 kcal/mol
  • Pose 4: -7.599 kcal/mol
  • Pose 5: -7.454 kcal/mol
  • Pose 6: -7.261 kcal/mol
  • Pose 7: -7.208 kcal/mol
  • Pose 8: -7.191 kcal/mol
  • Pose 9: -7.175 kcal/mol
CHEMBL3329641_dpp4
Energy Plot
RMSD Scatter Plot