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

Docking Result

CHEMBL600045_dpp4

Atoms: 252
Models: 9
Best Energy: -7.062 kcal/mol

Binding Energies:
  • Pose 1: -7.062 kcal/mol
  • Pose 2: -7.046 kcal/mol
  • Pose 3: -6.67 kcal/mol
  • Pose 4: -6.61 kcal/mol
  • Pose 5: -6.566 kcal/mol
  • Pose 6: -6.515 kcal/mol
  • Pose 7: -6.414 kcal/mol
  • Pose 8: -6.363 kcal/mol
  • Pose 9: -6.242 kcal/mol
CHEMBL600045_dpp4
Energy Plot
RMSD Scatter Plot