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

Docking Result

CHEMBL1683093_dpp4

Atoms: 296
Models: 8
Best Energy: -8.633 kcal/mol

Binding Energies:
  • Pose 1: -8.633 kcal/mol
  • Pose 2: -8.58 kcal/mol
  • Pose 3: -8.57 kcal/mol
  • Pose 4: -8.502 kcal/mol
  • Pose 5: -8.498 kcal/mol
  • Pose 6: -8.337 kcal/mol
  • Pose 7: -8.182 kcal/mol
  • Pose 8: -8.057 kcal/mol
CHEMBL1683093_dpp4
Energy Plot
RMSD Scatter Plot