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

Docking Result

CHEMBL471633_dpp4

Atoms: 324
Models: 9
Best Energy: -8.047 kcal/mol

Binding Energies:
  • Pose 1: -8.047 kcal/mol
  • Pose 2: -7.778 kcal/mol
  • Pose 3: -7.616 kcal/mol
  • Pose 4: -7.434 kcal/mol
  • Pose 5: -7.415 kcal/mol
  • Pose 6: -7.41 kcal/mol
  • Pose 7: -7.361 kcal/mol
  • Pose 8: -7.301 kcal/mol
  • Pose 9: -7.252 kcal/mol
CHEMBL471633_dpp4
Energy Plot
RMSD Scatter Plot