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

Docking Result

CHEMBL1688524_dpp4

Atoms: 234
Models: 9
Best Energy: -7.981 kcal/mol

Binding Energies:
  • Pose 1: -7.981 kcal/mol
  • Pose 2: -7.731 kcal/mol
  • Pose 3: -7.15 kcal/mol
  • Pose 4: -6.821 kcal/mol
  • Pose 5: -6.813 kcal/mol
  • Pose 6: -6.785 kcal/mol
  • Pose 7: -6.777 kcal/mol
  • Pose 8: -6.723 kcal/mol
  • Pose 9: -6.717 kcal/mol
CHEMBL1688524_dpp4
Energy Plot
RMSD Scatter Plot