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

Docking Result

CHEMBL4743736_dpp4

Atoms: 288
Models: 9
Best Energy: -8.005 kcal/mol

Binding Energies:
  • Pose 1: -8.005 kcal/mol
  • Pose 2: -7.409 kcal/mol
  • Pose 3: -7.396 kcal/mol
  • Pose 4: -7.393 kcal/mol
  • Pose 5: -7.35 kcal/mol
  • Pose 6: -7.332 kcal/mol
  • Pose 7: -7.301 kcal/mol
  • Pose 8: -7.258 kcal/mol
  • Pose 9: -7.144 kcal/mol
CHEMBL4743736_dpp4
Energy Plot
RMSD Scatter Plot