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

Docking Result

CHEMBL3616916_dpp4

Atoms: 306
Models: 9
Best Energy: -8.702 kcal/mol

Binding Energies:
  • Pose 1: -8.702 kcal/mol
  • Pose 2: -8.33 kcal/mol
  • Pose 3: -8.316 kcal/mol
  • Pose 4: -8.114 kcal/mol
  • Pose 5: -7.94 kcal/mol
  • Pose 6: -7.919 kcal/mol
  • Pose 7: -7.83 kcal/mol
  • Pose 8: -7.675 kcal/mol
  • Pose 9: -7.498 kcal/mol
CHEMBL3616916_dpp4
Energy Plot
RMSD Scatter Plot