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

Docking Result

CHEMBL2159181_dpp4

Atoms: 252
Models: 9
Best Energy: -7.776 kcal/mol

Binding Energies:
  • Pose 1: -7.776 kcal/mol
  • Pose 2: -7.548 kcal/mol
  • Pose 3: -7.474 kcal/mol
  • Pose 4: -7.3 kcal/mol
  • Pose 5: -7.16 kcal/mol
  • Pose 6: -6.906 kcal/mol
  • Pose 7: -6.868 kcal/mol
  • Pose 8: -6.829 kcal/mol
  • Pose 9: -6.745 kcal/mol
CHEMBL2159181_dpp4
Energy Plot
RMSD Scatter Plot