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

Docking Result

CHEMBL3425748_dpp4

Atoms: 306
Models: 9
Best Energy: -9.323 kcal/mol

Binding Energies:
  • Pose 1: -9.323 kcal/mol
  • Pose 2: -9.085 kcal/mol
  • Pose 3: -8.984 kcal/mol
  • Pose 4: -8.768 kcal/mol
  • Pose 5: -8.64 kcal/mol
  • Pose 6: -8.447 kcal/mol
  • Pose 7: -8.385 kcal/mol
  • Pose 8: -8.266 kcal/mol
  • Pose 9: -8.188 kcal/mol
CHEMBL3425748_dpp4
Energy Plot
RMSD Scatter Plot