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

Docking Result

CHEMBL1683126_dpp4

Atoms: 270
Models: 9
Best Energy: -8.581 kcal/mol

Binding Energies:
  • Pose 1: -8.581 kcal/mol
  • Pose 2: -8.485 kcal/mol
  • Pose 3: -8.384 kcal/mol
  • Pose 4: -8.317 kcal/mol
  • Pose 5: -8.184 kcal/mol
  • Pose 6: -8.18 kcal/mol
  • Pose 7: -8.141 kcal/mol
  • Pose 8: -8.092 kcal/mol
  • Pose 9: -8.084 kcal/mol
CHEMBL1683126_dpp4
Energy Plot
RMSD Scatter Plot