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

Docking Result

CHEMBL237972_dpp4

Atoms: 288
Models: 9
Best Energy: -7.978 kcal/mol

Binding Energies:
  • Pose 1: -7.978 kcal/mol
  • Pose 2: -7.677 kcal/mol
  • Pose 3: -7.655 kcal/mol
  • Pose 4: -7.365 kcal/mol
  • Pose 5: -7.311 kcal/mol
  • Pose 6: -7.285 kcal/mol
  • Pose 7: -7.224 kcal/mol
  • Pose 8: -7.219 kcal/mol
  • Pose 9: -7.107 kcal/mol
CHEMBL237972_dpp4
Energy Plot
RMSD Scatter Plot