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

Docking Result

CHEMBL234911_dpp4

Atoms: 216
Models: 9
Best Energy: -6.735 kcal/mol

Binding Energies:
  • Pose 1: -6.735 kcal/mol
  • Pose 2: -6.721 kcal/mol
  • Pose 3: -6.613 kcal/mol
  • Pose 4: -6.581 kcal/mol
  • Pose 5: -6.56 kcal/mol
  • Pose 6: -6.441 kcal/mol
  • Pose 7: -6.427 kcal/mol
  • Pose 8: -6.336 kcal/mol
  • Pose 9: -6.266 kcal/mol
CHEMBL234911_dpp4
Energy Plot
RMSD Scatter Plot