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

Docking Result

CHEMBL147923_dpp4

Atoms: 153
Models: 9
Best Energy: -5.169 kcal/mol

Binding Energies:
  • Pose 1: -5.169 kcal/mol
  • Pose 2: -5.156 kcal/mol
  • Pose 3: -5.072 kcal/mol
  • Pose 4: -4.943 kcal/mol
  • Pose 5: -4.842 kcal/mol
  • Pose 6: -4.792 kcal/mol
  • Pose 7: -4.607 kcal/mol
  • Pose 8: -4.419 kcal/mol
  • Pose 9: -4.408 kcal/mol
CHEMBL147923_dpp4
Energy Plot
RMSD Scatter Plot