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

Docking Result

CHEMBL1650411_dpp4

Atoms: 243
Models: 9
Best Energy: -7.399 kcal/mol

Binding Energies:
  • Pose 1: -7.399 kcal/mol
  • Pose 2: -7.365 kcal/mol
  • Pose 3: -7.362 kcal/mol
  • Pose 4: -7.327 kcal/mol
  • Pose 5: -7.251 kcal/mol
  • Pose 6: -7.218 kcal/mol
  • Pose 7: -7.102 kcal/mol
  • Pose 8: -7.069 kcal/mol
  • Pose 9: -6.941 kcal/mol
CHEMBL1650411_dpp4
Energy Plot
RMSD Scatter Plot