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

Docking Result

CHEMBL520434_dpp4

Atoms: 261
Models: 9
Best Energy: -7.754 kcal/mol

Binding Energies:
  • Pose 1: -7.754 kcal/mol
  • Pose 2: -7.701 kcal/mol
  • Pose 3: -7.656 kcal/mol
  • Pose 4: -7.601 kcal/mol
  • Pose 5: -7.565 kcal/mol
  • Pose 6: -7.556 kcal/mol
  • Pose 7: -7.518 kcal/mol
  • Pose 8: -7.491 kcal/mol
  • Pose 9: -7.479 kcal/mol
CHEMBL520434_dpp4
Energy Plot
RMSD Scatter Plot