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

Docking Result

CHEMBL480155_dpp4

Atoms: 270
Models: 9
Best Energy: -7.738 kcal/mol

Binding Energies:
  • Pose 1: -7.738 kcal/mol
  • Pose 2: -7.656 kcal/mol
  • Pose 3: -7.564 kcal/mol
  • Pose 4: -7.555 kcal/mol
  • Pose 5: -7.465 kcal/mol
  • Pose 6: -7.382 kcal/mol
  • Pose 7: -7.32 kcal/mol
  • Pose 8: -7.24 kcal/mol
  • Pose 9: -7.181 kcal/mol
CHEMBL480155_dpp4
Energy Plot
RMSD Scatter Plot