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

Docking Result

CHEMBL242811_dpp4

Atoms: 252
Models: 9
Best Energy: -7.895 kcal/mol

Binding Energies:
  • Pose 1: -7.895 kcal/mol
  • Pose 2: -7.741 kcal/mol
  • Pose 3: -7.629 kcal/mol
  • Pose 4: -7.57 kcal/mol
  • Pose 5: -7.556 kcal/mol
  • Pose 6: -7.446 kcal/mol
  • Pose 7: -7.425 kcal/mol
  • Pose 8: -7.408 kcal/mol
  • Pose 9: -7.281 kcal/mol
CHEMBL242811_dpp4
Energy Plot
RMSD Scatter Plot