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

Docking Result

CHEMBL394662_dpp4

Atoms: 171
Models: 9
Best Energy: -7.431 kcal/mol

Binding Energies:
  • Pose 1: -7.431 kcal/mol
  • Pose 2: -6.519 kcal/mol
  • Pose 3: -6.267 kcal/mol
  • Pose 4: -6.238 kcal/mol
  • Pose 5: -6.159 kcal/mol
  • Pose 6: -6.118 kcal/mol
  • Pose 7: -6.116 kcal/mol
  • Pose 8: -6.096 kcal/mol
  • Pose 9: -6.078 kcal/mol
CHEMBL394662_dpp4
Energy Plot
RMSD Scatter Plot