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

Docking Result

CHEMBL235004_dpp4

Atoms: 315
Models: 9
Best Energy: -8 kcal/mol

Binding Energies:
  • Pose 1: -8 kcal/mol
  • Pose 2: -7.89 kcal/mol
  • Pose 3: -7.786 kcal/mol
  • Pose 4: -7.778 kcal/mol
  • Pose 5: -7.769 kcal/mol
  • Pose 6: -7.756 kcal/mol
  • Pose 7: -7.629 kcal/mol
  • Pose 8: -7.587 kcal/mol
  • Pose 9: -7.585 kcal/mol
CHEMBL235004_dpp4
Energy Plot
RMSD Scatter Plot