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

Docking Result

CHEMBL2178963_dpp4

Atoms: 315
Models: 9
Best Energy: -9.286 kcal/mol

Binding Energies:
  • Pose 1: -9.286 kcal/mol
  • Pose 2: -8.88 kcal/mol
  • Pose 3: -8.839 kcal/mol
  • Pose 4: -8.818 kcal/mol
  • Pose 5: -8.673 kcal/mol
  • Pose 6: -8.657 kcal/mol
  • Pose 7: -8.547 kcal/mol
  • Pose 8: -8.54 kcal/mol
  • Pose 9: -8.416 kcal/mol
CHEMBL2178963_dpp4
Energy Plot
RMSD Scatter Plot