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

Docking Result

CHEMBL234236_dpp4

Atoms: 243
Models: 9
Best Energy: -7.622 kcal/mol

Binding Energies:
  • Pose 1: -7.622 kcal/mol
  • Pose 2: -7.61 kcal/mol
  • Pose 3: -7.252 kcal/mol
  • Pose 4: -7.232 kcal/mol
  • Pose 5: -7.18 kcal/mol
  • Pose 6: -7.132 kcal/mol
  • Pose 7: -7.09 kcal/mol
  • Pose 8: -7.088 kcal/mol
  • Pose 9: -7.084 kcal/mol
CHEMBL234236_dpp4
Energy Plot
RMSD Scatter Plot