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

Docking Result

CHEMBL5268023_dpp4

Atoms: 288
Models: 9
Best Energy: -8.41 kcal/mol

Binding Energies:
  • Pose 1: -8.41 kcal/mol
  • Pose 2: -8.401 kcal/mol
  • Pose 3: -8.376 kcal/mol
  • Pose 4: -8.251 kcal/mol
  • Pose 5: -7.94 kcal/mol
  • Pose 6: -7.9 kcal/mol
  • Pose 7: -7.856 kcal/mol
  • Pose 8: -7.837 kcal/mol
  • Pose 9: -7.793 kcal/mol
CHEMBL5268023_dpp4
Energy Plot
RMSD Scatter Plot