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

Docking Result

CHEMBL3644461_dpp4

Atoms: 270
Models: 9
Best Energy: -7.979 kcal/mol

Binding Energies:
  • Pose 1: -7.979 kcal/mol
  • Pose 2: -7.939 kcal/mol
  • Pose 3: -7.936 kcal/mol
  • Pose 4: -7.879 kcal/mol
  • Pose 5: -7.83 kcal/mol
  • Pose 6: -7.802 kcal/mol
  • Pose 7: -7.782 kcal/mol
  • Pose 8: -7.584 kcal/mol
  • Pose 9: -7.553 kcal/mol
CHEMBL3644461_dpp4
Energy Plot
RMSD Scatter Plot