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

Docking Result

CHEMBL3233558_dpp4

Atoms: 234
Models: 9
Best Energy: -8.106 kcal/mol

Binding Energies:
  • Pose 1: -8.106 kcal/mol
  • Pose 2: -7.881 kcal/mol
  • Pose 3: -7.763 kcal/mol
  • Pose 4: -7.717 kcal/mol
  • Pose 5: -7.694 kcal/mol
  • Pose 6: -7.6 kcal/mol
  • Pose 7: -7.565 kcal/mol
  • Pose 8: -7.53 kcal/mol
  • Pose 9: -7.513 kcal/mol
CHEMBL3233558_dpp4
Energy Plot
RMSD Scatter Plot