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

Docking Result

CHEMBL4860737_dpp4

Atoms: 297
Models: 9
Best Energy: -7.756 kcal/mol

Binding Energies:
  • Pose 1: -7.756 kcal/mol
  • Pose 2: -7.597 kcal/mol
  • Pose 3: -7.496 kcal/mol
  • Pose 4: -7.46 kcal/mol
  • Pose 5: -7.395 kcal/mol
  • Pose 6: -7.382 kcal/mol
  • Pose 7: -7.381 kcal/mol
  • Pose 8: -7.349 kcal/mol
  • Pose 9: -7.3 kcal/mol
CHEMBL4860737_dpp4
Energy Plot
RMSD Scatter Plot