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

Docking Result

CHEMBL1086502_dpp4

Atoms: 225
Models: 9
Best Energy: -6.423 kcal/mol

Binding Energies:
  • Pose 1: -6.423 kcal/mol
  • Pose 2: -6.412 kcal/mol
  • Pose 3: -6.364 kcal/mol
  • Pose 4: -6.334 kcal/mol
  • Pose 5: -6.252 kcal/mol
  • Pose 6: -6.198 kcal/mol
  • Pose 7: -6.156 kcal/mol
  • Pose 8: -6.111 kcal/mol
  • Pose 9: -5.987 kcal/mol
CHEMBL1086502_dpp4
Energy Plot
RMSD Scatter Plot