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

Docking Result

CHEMBL2069845_dpp4

Atoms: 315
Models: 9
Best Energy: -8.849 kcal/mol

Binding Energies:
  • Pose 1: -8.849 kcal/mol
  • Pose 2: -8.816 kcal/mol
  • Pose 3: -8.805 kcal/mol
  • Pose 4: -8.028 kcal/mol
  • Pose 5: -7.99 kcal/mol
  • Pose 6: -7.987 kcal/mol
  • Pose 7: -7.841 kcal/mol
  • Pose 8: -7.741 kcal/mol
  • Pose 9: -7.66 kcal/mol
CHEMBL2069845_dpp4
Energy Plot
RMSD Scatter Plot