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

Docking Result

CHEMBL3736135_dpp4

Atoms: 288
Models: 9
Best Energy: -8.529 kcal/mol

Binding Energies:
  • Pose 1: -8.529 kcal/mol
  • Pose 2: -8.243 kcal/mol
  • Pose 3: -7.962 kcal/mol
  • Pose 4: -7.909 kcal/mol
  • Pose 5: -7.716 kcal/mol
  • Pose 6: -7.441 kcal/mol
  • Pose 7: -7.396 kcal/mol
  • Pose 8: -7.367 kcal/mol
  • Pose 9: -7.14 kcal/mol
CHEMBL3736135_dpp4
Energy Plot
RMSD Scatter Plot