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

Docking Result

CHEMBL184738_dpp4

Atoms: 360
Models: 9
Best Energy: -7.835 kcal/mol

Binding Energies:
  • Pose 1: -7.835 kcal/mol
  • Pose 2: -7.78 kcal/mol
  • Pose 3: -7.621 kcal/mol
  • Pose 4: -7.616 kcal/mol
  • Pose 5: -7.591 kcal/mol
  • Pose 6: -7.54 kcal/mol
  • Pose 7: -7.481 kcal/mol
  • Pose 8: -7.29 kcal/mol
  • Pose 9: -7.261 kcal/mol
CHEMBL184738_dpp4
Energy Plot
RMSD Scatter Plot