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

Docking Result

CHEMBL197413_dpp4

Atoms: 270
Models: 9
Best Energy: -8.619 kcal/mol

Binding Energies:
  • Pose 1: -8.619 kcal/mol
  • Pose 2: -8.433 kcal/mol
  • Pose 3: -8.348 kcal/mol
  • Pose 4: -8.177 kcal/mol
  • Pose 5: -8.071 kcal/mol
  • Pose 6: -8.013 kcal/mol
  • Pose 7: -7.977 kcal/mol
  • Pose 8: -7.923 kcal/mol
  • Pose 9: -7.802 kcal/mol
CHEMBL197413_dpp4
Energy Plot
RMSD Scatter Plot