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

Docking Result

CHEMBL153096_dpp4

Atoms: 207
Models: 9
Best Energy: -7.563 kcal/mol

Binding Energies:
  • Pose 1: -7.563 kcal/mol
  • Pose 2: -7.384 kcal/mol
  • Pose 3: -7.349 kcal/mol
  • Pose 4: -7.342 kcal/mol
  • Pose 5: -7.341 kcal/mol
  • Pose 6: -7.251 kcal/mol
  • Pose 7: -7.25 kcal/mol
  • Pose 8: -7.246 kcal/mol
  • Pose 9: -5.711 kcal/mol
CHEMBL153096_dpp4
Energy Plot
RMSD Scatter Plot