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

Docking Result

CHEMBL3650435_dpp4

Atoms: 261
Models: 9
Best Energy: -8.103 kcal/mol

Binding Energies:
  • Pose 1: -8.103 kcal/mol
  • Pose 2: -7.822 kcal/mol
  • Pose 3: -7.706 kcal/mol
  • Pose 4: -7.699 kcal/mol
  • Pose 5: -7.216 kcal/mol
  • Pose 6: -7.093 kcal/mol
  • Pose 7: -7.021 kcal/mol
  • Pose 8: -6.958 kcal/mol
  • Pose 9: -6.794 kcal/mol
CHEMBL3650435_dpp4
Energy Plot
RMSD Scatter Plot