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

Docking Result

CHEMBL319583_dpp4

Atoms: 216
Models: 9
Best Energy: -6.885 kcal/mol

Binding Energies:
  • Pose 1: -6.885 kcal/mol
  • Pose 2: -6.839 kcal/mol
  • Pose 3: -6.49 kcal/mol
  • Pose 4: -6.468 kcal/mol
  • Pose 5: -6.406 kcal/mol
  • Pose 6: -6.379 kcal/mol
  • Pose 7: -6.316 kcal/mol
  • Pose 8: -6.225 kcal/mol
  • Pose 9: -6.121 kcal/mol
CHEMBL319583_dpp4
Energy Plot
RMSD Scatter Plot