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

Docking Result

CHEMBL479736_dpp4

Atoms: 252
Models: 9
Best Energy: -8.139 kcal/mol

Binding Energies:
  • Pose 1: -8.139 kcal/mol
  • Pose 2: -7.609 kcal/mol
  • Pose 3: -7.375 kcal/mol
  • Pose 4: -7.334 kcal/mol
  • Pose 5: -7.312 kcal/mol
  • Pose 6: -7.286 kcal/mol
  • Pose 7: -7.27 kcal/mol
  • Pose 8: -7.221 kcal/mol
  • Pose 9: -7.212 kcal/mol
CHEMBL479736_dpp4
Energy Plot
RMSD Scatter Plot