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

Docking Result

CHEMBL256871_dpp4

Atoms: 216
Models: 9
Best Energy: -7.056 kcal/mol

Binding Energies:
  • Pose 1: -7.056 kcal/mol
  • Pose 2: -6.937 kcal/mol
  • Pose 3: -6.9 kcal/mol
  • Pose 4: -6.884 kcal/mol
  • Pose 5: -6.88 kcal/mol
  • Pose 6: -6.797 kcal/mol
  • Pose 7: -6.749 kcal/mol
  • Pose 8: -6.72 kcal/mol
  • Pose 9: -6.619 kcal/mol
CHEMBL256871_dpp4
Energy Plot
RMSD Scatter Plot