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

Docking Result

CHEMBL4571225_dpp4

Atoms: 216
Models: 9
Best Energy: -7.223 kcal/mol

Binding Energies:
  • Pose 1: -7.223 kcal/mol
  • Pose 2: -7.19 kcal/mol
  • Pose 3: -7.045 kcal/mol
  • Pose 4: -7.03 kcal/mol
  • Pose 5: -6.966 kcal/mol
  • Pose 6: -6.86 kcal/mol
  • Pose 7: -6.796 kcal/mol
  • Pose 8: -6.767 kcal/mol
  • Pose 9: -6.649 kcal/mol
CHEMBL4571225_dpp4
Energy Plot
RMSD Scatter Plot