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

Docking Result

CHEMBL3924059_dpp4

Atoms: 405
Models: 9
Best Energy: -8.5 kcal/mol

Binding Energies:
  • Pose 1: -8.5 kcal/mol
  • Pose 2: -8.388 kcal/mol
  • Pose 3: -8.043 kcal/mol
  • Pose 4: -8.034 kcal/mol
  • Pose 5: -8.026 kcal/mol
  • Pose 6: -7.939 kcal/mol
  • Pose 7: -7.877 kcal/mol
  • Pose 8: -7.762 kcal/mol
  • Pose 9: -7.733 kcal/mol
CHEMBL3924059_dpp4
Energy Plot
RMSD Scatter Plot