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

Docking Result

CHEMBL388431_dpp4

Atoms: 252
Models: 9
Best Energy: -7.986 kcal/mol

Binding Energies:
  • Pose 1: -7.986 kcal/mol
  • Pose 2: -7.872 kcal/mol
  • Pose 3: -7.841 kcal/mol
  • Pose 4: -7.765 kcal/mol
  • Pose 5: -7.76 kcal/mol
  • Pose 6: -7.708 kcal/mol
  • Pose 7: -7.676 kcal/mol
  • Pose 8: -7.577 kcal/mol
  • Pose 9: -7.452 kcal/mol
CHEMBL388431_dpp4
Energy Plot
RMSD Scatter Plot