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

Docking Result

CHEMBL230937_dpp4

Atoms: 324
Models: 9
Best Energy: -8.476 kcal/mol

Binding Energies:
  • Pose 1: -8.476 kcal/mol
  • Pose 2: -8.258 kcal/mol
  • Pose 3: -7.745 kcal/mol
  • Pose 4: -7.665 kcal/mol
  • Pose 5: -7.573 kcal/mol
  • Pose 6: -7.485 kcal/mol
  • Pose 7: -7.416 kcal/mol
  • Pose 8: -7.398 kcal/mol
  • Pose 9: -7.308 kcal/mol
CHEMBL230937_dpp4
Energy Plot
RMSD Scatter Plot