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

Docking Result

CHEMBL3236130_dpp4

Atoms: 288
Models: 9
Best Energy: -8.623 kcal/mol

Binding Energies:
  • Pose 1: -8.623 kcal/mol
  • Pose 2: -8.33 kcal/mol
  • Pose 3: -7.864 kcal/mol
  • Pose 4: -7.784 kcal/mol
  • Pose 5: -7.731 kcal/mol
  • Pose 6: -7.617 kcal/mol
  • Pose 7: -7.454 kcal/mol
  • Pose 8: -7.319 kcal/mol
  • Pose 9: -7.242 kcal/mol
CHEMBL3236130_dpp4
Energy Plot
RMSD Scatter Plot