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

Docking Result

CHEMBL2385282_dpp4

Atoms: 216
Models: 9
Best Energy: -7.867 kcal/mol

Binding Energies:
  • Pose 1: -7.867 kcal/mol
  • Pose 2: -7.787 kcal/mol
  • Pose 3: -7.695 kcal/mol
  • Pose 4: -7.69 kcal/mol
  • Pose 5: -7.625 kcal/mol
  • Pose 6: -7.613 kcal/mol
  • Pose 7: -7.403 kcal/mol
  • Pose 8: -7.35 kcal/mol
  • Pose 9: -7.222 kcal/mol
CHEMBL2385282_dpp4
Energy Plot
RMSD Scatter Plot