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

Docking Result

CHEMBL3979508_dpp4

Atoms: 243
Models: 9
Best Energy: -8.652 kcal/mol

Binding Energies:
  • Pose 1: -8.652 kcal/mol
  • Pose 2: -8.417 kcal/mol
  • Pose 3: -8.047 kcal/mol
  • Pose 4: -7.943 kcal/mol
  • Pose 5: -7.8 kcal/mol
  • Pose 6: -7.778 kcal/mol
  • Pose 7: -7.584 kcal/mol
  • Pose 8: -7.57 kcal/mol
  • Pose 9: -7.419 kcal/mol
CHEMBL3979508_dpp4
Energy Plot
RMSD Scatter Plot