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

Docking Result

CHEMBL144226_dpp4

Atoms: 189
Models: 9
Best Energy: -5.82 kcal/mol

Binding Energies:
  • Pose 1: -5.82 kcal/mol
  • Pose 2: -5.8 kcal/mol
  • Pose 3: -5.705 kcal/mol
  • Pose 4: -5.595 kcal/mol
  • Pose 5: -5.48 kcal/mol
  • Pose 6: -5.388 kcal/mol
  • Pose 7: -5.332 kcal/mol
  • Pose 8: -5.307 kcal/mol
  • Pose 9: -5.251 kcal/mol
CHEMBL144226_dpp4
Energy Plot
RMSD Scatter Plot