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

Docking Result

CHEMBL1724888_dpp4

Atoms: 198
Models: 9
Best Energy: -7.361 kcal/mol

Binding Energies:
  • Pose 1: -7.361 kcal/mol
  • Pose 2: -7.308 kcal/mol
  • Pose 3: -7.296 kcal/mol
  • Pose 4: -7.291 kcal/mol
  • Pose 5: -7.107 kcal/mol
  • Pose 6: -7.106 kcal/mol
  • Pose 7: -7.03 kcal/mol
  • Pose 8: -6.914 kcal/mol
  • Pose 9: -6.826 kcal/mol
CHEMBL1724888_dpp4
Energy Plot
RMSD Scatter Plot