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

Docking Result

CHEMBL4748662_dpp4

Atoms: 279
Models: 9
Best Energy: -7.76 kcal/mol

Binding Energies:
  • Pose 1: -7.76 kcal/mol
  • Pose 2: -7.542 kcal/mol
  • Pose 3: -7.425 kcal/mol
  • Pose 4: -7.4 kcal/mol
  • Pose 5: -7.359 kcal/mol
  • Pose 6: -7.354 kcal/mol
  • Pose 7: -7.349 kcal/mol
  • Pose 8: -7.251 kcal/mol
  • Pose 9: -7.214 kcal/mol
CHEMBL4748662_dpp4
Energy Plot
RMSD Scatter Plot