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

Docking Result

CHEMBL3804982_dpp4

Atoms: 270
Models: 9
Best Energy: -7.825 kcal/mol

Binding Energies:
  • Pose 1: -7.825 kcal/mol
  • Pose 2: -7.808 kcal/mol
  • Pose 3: -7.678 kcal/mol
  • Pose 4: -7.654 kcal/mol
  • Pose 5: -7.609 kcal/mol
  • Pose 6: -7.576 kcal/mol
  • Pose 7: -7.456 kcal/mol
  • Pose 8: -7.418 kcal/mol
  • Pose 9: -7.328 kcal/mol
CHEMBL3804982_dpp4
Energy Plot
RMSD Scatter Plot