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

Docking Result

CHEMBL164_dpp4

Atoms: 261
Models: 9
Best Energy: -7.993 kcal/mol

Binding Energies:
  • Pose 1: -7.993 kcal/mol
  • Pose 2: -7.757 kcal/mol
  • Pose 3: -7.7 kcal/mol
  • Pose 4: -7.434 kcal/mol
  • Pose 5: -7.359 kcal/mol
  • Pose 6: -7.305 kcal/mol
  • Pose 7: -7.293 kcal/mol
  • Pose 8: -7.285 kcal/mol
  • Pose 9: -7.261 kcal/mol
CHEMBL164_dpp4
Energy Plot
RMSD Scatter Plot