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

Docking Result

CHEMBL4746868_dpp4

Atoms: 261
Models: 9
Best Energy: -8.57 kcal/mol

Binding Energies:
  • Pose 1: -8.57 kcal/mol
  • Pose 2: -8.316 kcal/mol
  • Pose 3: -8.096 kcal/mol
  • Pose 4: -7.969 kcal/mol
  • Pose 5: -7.93 kcal/mol
  • Pose 6: -7.899 kcal/mol
  • Pose 7: -7.889 kcal/mol
  • Pose 8: -7.704 kcal/mol
  • Pose 9: -7.685 kcal/mol
CHEMBL4746868_dpp4
Energy Plot
RMSD Scatter Plot