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

Docking Result

CHEMBL4740282_dpp4

Atoms: 405
Models: 9
Best Energy: -9.099 kcal/mol

Binding Energies:
  • Pose 1: -9.099 kcal/mol
  • Pose 2: -8.899 kcal/mol
  • Pose 3: -8.825 kcal/mol
  • Pose 4: -8.79 kcal/mol
  • Pose 5: -8.682 kcal/mol
  • Pose 6: -8.652 kcal/mol
  • Pose 7: -8.56 kcal/mol
  • Pose 8: -8.483 kcal/mol
  • Pose 9: -8.303 kcal/mol
CHEMBL4740282_dpp4
Energy Plot
RMSD Scatter Plot