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

Docking Result

CHEMBL1683114_dpp4

Atoms: 208
Models: 8
Best Energy: -8.191 kcal/mol

Binding Energies:
  • Pose 1: -8.191 kcal/mol
  • Pose 2: -7.84 kcal/mol
  • Pose 3: -7.79 kcal/mol
  • Pose 4: -7.758 kcal/mol
  • Pose 5: -7.723 kcal/mol
  • Pose 6: -7.399 kcal/mol
  • Pose 7: -7.388 kcal/mol
  • Pose 8: -7.334 kcal/mol
CHEMBL1683114_dpp4
Energy Plot
RMSD Scatter Plot