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

Docking Result

CHEMBL563911_dpp4

Atoms: 279
Models: 9
Best Energy: -7.83 kcal/mol

Binding Energies:
  • Pose 1: -7.83 kcal/mol
  • Pose 2: -7.727 kcal/mol
  • Pose 3: -7.702 kcal/mol
  • Pose 4: -7.647 kcal/mol
  • Pose 5: -7.548 kcal/mol
  • Pose 6: -7.527 kcal/mol
  • Pose 7: -7.403 kcal/mol
  • Pose 8: -7.308 kcal/mol
  • Pose 9: -7.18 kcal/mol
CHEMBL563911_dpp4
Energy Plot
RMSD Scatter Plot