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

Docking Result

CHEMBL399247_dpp4

Atoms: 234
Models: 9
Best Energy: -7.667 kcal/mol

Binding Energies:
  • Pose 1: -7.667 kcal/mol
  • Pose 2: -7.633 kcal/mol
  • Pose 3: -7.511 kcal/mol
  • Pose 4: -7.509 kcal/mol
  • Pose 5: -7.319 kcal/mol
  • Pose 6: -7.211 kcal/mol
  • Pose 7: -7.148 kcal/mol
  • Pose 8: -6.993 kcal/mol
  • Pose 9: -6.928 kcal/mol
CHEMBL399247_dpp4
Energy Plot
RMSD Scatter Plot