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

Docking Result

CHEMBL1688435_dpp4

Atoms: 288
Models: 9
Best Energy: -8.709 kcal/mol

Binding Energies:
  • Pose 1: -8.709 kcal/mol
  • Pose 2: -8.321 kcal/mol
  • Pose 3: -8.082 kcal/mol
  • Pose 4: -8.063 kcal/mol
  • Pose 5: -7.919 kcal/mol
  • Pose 6: -7.836 kcal/mol
  • Pose 7: -7.803 kcal/mol
  • Pose 8: -7.719 kcal/mol
  • Pose 9: -7.719 kcal/mol
CHEMBL1688435_dpp4
Energy Plot
RMSD Scatter Plot