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

Docking Result

CHEMBL485124_dpp4

Atoms: 261
Models: 9
Best Energy: -8.375 kcal/mol

Binding Energies:
  • Pose 1: -8.375 kcal/mol
  • Pose 2: -8.329 kcal/mol
  • Pose 3: -8.311 kcal/mol
  • Pose 4: -8.019 kcal/mol
  • Pose 5: -7.928 kcal/mol
  • Pose 6: -7.859 kcal/mol
  • Pose 7: -7.661 kcal/mol
  • Pose 8: -7.619 kcal/mol
  • Pose 9: -7.459 kcal/mol
CHEMBL485124_dpp4
Energy Plot
RMSD Scatter Plot