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

Docking Result

CHEMBL3616906_dpp4

Atoms: 342
Models: 9
Best Energy: -8.716 kcal/mol

Binding Energies:
  • Pose 1: -8.716 kcal/mol
  • Pose 2: -8.537 kcal/mol
  • Pose 3: -8.537 kcal/mol
  • Pose 4: -8.375 kcal/mol
  • Pose 5: -8.232 kcal/mol
  • Pose 6: -8.052 kcal/mol
  • Pose 7: -8.016 kcal/mol
  • Pose 8: -7.891 kcal/mol
  • Pose 9: -7.778 kcal/mol
CHEMBL3616906_dpp4
Energy Plot
RMSD Scatter Plot