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

Docking Result

CHEMBL461506_dpp4

Atoms: 171
Models: 9
Best Energy: -5.596 kcal/mol

Binding Energies:
  • Pose 1: -5.596 kcal/mol
  • Pose 2: -5.449 kcal/mol
  • Pose 3: -5.355 kcal/mol
  • Pose 4: -5.267 kcal/mol
  • Pose 5: -5.195 kcal/mol
  • Pose 6: -5.094 kcal/mol
  • Pose 7: -5.027 kcal/mol
  • Pose 8: -4.918 kcal/mol
  • Pose 9: -4.915 kcal/mol
CHEMBL461506_dpp4
Energy Plot
RMSD Scatter Plot