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

Docking Result

CHEMBL1085332_dpp4

Atoms: 234
Models: 9
Best Energy: -7.471 kcal/mol

Binding Energies:
  • Pose 1: -7.471 kcal/mol
  • Pose 2: -6.868 kcal/mol
  • Pose 3: -6.835 kcal/mol
  • Pose 4: -6.576 kcal/mol
  • Pose 5: -6.542 kcal/mol
  • Pose 6: -6.537 kcal/mol
  • Pose 7: -6.491 kcal/mol
  • Pose 8: -6.485 kcal/mol
  • Pose 9: -6.469 kcal/mol
CHEMBL1085332_dpp4
Energy Plot
RMSD Scatter Plot