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

Docking Result

CHEMBL4873862_dpp4

Atoms: 297
Models: 9
Best Energy: -7.495 kcal/mol

Binding Energies:
  • Pose 1: -7.495 kcal/mol
  • Pose 2: -7.422 kcal/mol
  • Pose 3: -7.332 kcal/mol
  • Pose 4: -7.279 kcal/mol
  • Pose 5: -7.185 kcal/mol
  • Pose 6: -7.174 kcal/mol
  • Pose 7: -7.167 kcal/mol
  • Pose 8: -6.957 kcal/mol
  • Pose 9: -6.943 kcal/mol
CHEMBL4873862_dpp4
Energy Plot
RMSD Scatter Plot