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

Docking Result

CHEMBL1688517_dpp4

Atoms: 216
Models: 9
Best Energy: -7.108 kcal/mol

Binding Energies:
  • Pose 1: -7.108 kcal/mol
  • Pose 2: -7.101 kcal/mol
  • Pose 3: -6.722 kcal/mol
  • Pose 4: -6.71 kcal/mol
  • Pose 5: -6.664 kcal/mol
  • Pose 6: -6.57 kcal/mol
  • Pose 7: -6.561 kcal/mol
  • Pose 8: -6.48 kcal/mol
  • Pose 9: -6.2 kcal/mol
CHEMBL1688517_dpp4
Energy Plot
RMSD Scatter Plot