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

Docking Result

CHEMBL1683111_dpp4

Atoms: 270
Models: 9
Best Energy: -8.63 kcal/mol

Binding Energies:
  • Pose 1: -8.63 kcal/mol
  • Pose 2: -8.13 kcal/mol
  • Pose 3: -8.085 kcal/mol
  • Pose 4: -7.932 kcal/mol
  • Pose 5: -7.908 kcal/mol
  • Pose 6: -7.826 kcal/mol
  • Pose 7: -7.802 kcal/mol
  • Pose 8: -7.74 kcal/mol
  • Pose 9: -7.649 kcal/mol
CHEMBL1683111_dpp4
Energy Plot
RMSD Scatter Plot