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

Docking Result

CHEMBL5198237_dpp4

Atoms: 297
Models: 9
Best Energy: -7.614 kcal/mol

Binding Energies:
  • Pose 1: -7.614 kcal/mol
  • Pose 2: -7.527 kcal/mol
  • Pose 3: -7.524 kcal/mol
  • Pose 4: -7.446 kcal/mol
  • Pose 5: -7.443 kcal/mol
  • Pose 6: -7.441 kcal/mol
  • Pose 7: -7.416 kcal/mol
  • Pose 8: -7.306 kcal/mol
  • Pose 9: -7.302 kcal/mol
CHEMBL5198237_dpp4
Energy Plot
RMSD Scatter Plot