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

Docking Result

CHEMBL374936_dpp4

Atoms: 252
Models: 9
Best Energy: -8.044 kcal/mol

Binding Energies:
  • Pose 1: -8.044 kcal/mol
  • Pose 2: -7.705 kcal/mol
  • Pose 3: -7.453 kcal/mol
  • Pose 4: -7.441 kcal/mol
  • Pose 5: -7.398 kcal/mol
  • Pose 6: -7.347 kcal/mol
  • Pose 7: -7.325 kcal/mol
  • Pose 8: -7.264 kcal/mol
  • Pose 9: -7.208 kcal/mol
CHEMBL374936_dpp4
Energy Plot
RMSD Scatter Plot