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

Docking Result

CHEMBL3697949_dpp4

Atoms: 324
Models: 9
Best Energy: -8.618 kcal/mol

Binding Energies:
  • Pose 1: -8.618 kcal/mol
  • Pose 2: -8.616 kcal/mol
  • Pose 3: -8.413 kcal/mol
  • Pose 4: -7.898 kcal/mol
  • Pose 5: -7.882 kcal/mol
  • Pose 6: -7.85 kcal/mol
  • Pose 7: -7.839 kcal/mol
  • Pose 8: -7.697 kcal/mol
  • Pose 9: -7.663 kcal/mol
CHEMBL3697949_dpp4
Energy Plot
RMSD Scatter Plot