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

Docking Result

CHEMBL1683138_dpp4

Atoms: 279
Models: 9
Best Energy: -8.41 kcal/mol

Binding Energies:
  • Pose 1: -8.41 kcal/mol
  • Pose 2: -8.331 kcal/mol
  • Pose 3: -8.161 kcal/mol
  • Pose 4: -7.918 kcal/mol
  • Pose 5: -7.836 kcal/mol
  • Pose 6: -7.718 kcal/mol
  • Pose 7: -7.662 kcal/mol
  • Pose 8: -7.594 kcal/mol
  • Pose 9: -7.503 kcal/mol
CHEMBL1683138_dpp4
Energy Plot
RMSD Scatter Plot