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

Docking Result

CHEMBL1683566_dpp4

Atoms: 261
Models: 9
Best Energy: -8.177 kcal/mol

Binding Energies:
  • Pose 1: -8.177 kcal/mol
  • Pose 2: -7.917 kcal/mol
  • Pose 3: -7.903 kcal/mol
  • Pose 4: -7.887 kcal/mol
  • Pose 5: -7.88 kcal/mol
  • Pose 6: -7.856 kcal/mol
  • Pose 7: -7.443 kcal/mol
  • Pose 8: -7.441 kcal/mol
  • Pose 9: -7.385 kcal/mol
CHEMBL1683566_dpp4
Energy Plot
RMSD Scatter Plot