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

Docking Result

CHEMBL3233543_dpp4

Atoms: 234
Models: 9
Best Energy: -8.224 kcal/mol

Binding Energies:
  • Pose 1: -8.224 kcal/mol
  • Pose 2: -8.03 kcal/mol
  • Pose 3: -7.86 kcal/mol
  • Pose 4: -7.733 kcal/mol
  • Pose 5: -7.731 kcal/mol
  • Pose 6: -7.624 kcal/mol
  • Pose 7: -7.614 kcal/mol
  • Pose 8: -7.497 kcal/mol
  • Pose 9: -7.38 kcal/mol
CHEMBL3233543_dpp4
Energy Plot
RMSD Scatter Plot