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

Docking Result

CHEMBL404159_dpp4

Atoms: 243
Models: 9
Best Energy: -7.377 kcal/mol

Binding Energies:
  • Pose 1: -7.377 kcal/mol
  • Pose 2: -7.377 kcal/mol
  • Pose 3: -7.352 kcal/mol
  • Pose 4: -7.293 kcal/mol
  • Pose 5: -7.251 kcal/mol
  • Pose 6: -7.11 kcal/mol
  • Pose 7: -7.096 kcal/mol
  • Pose 8: -7.029 kcal/mol
  • Pose 9: -6.934 kcal/mol
CHEMBL404159_dpp4
Energy Plot
RMSD Scatter Plot