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

Docking Result

CHEMBL238516_dpp4

Atoms: 252
Models: 9
Best Energy: -7.568 kcal/mol

Binding Energies:
  • Pose 1: -7.568 kcal/mol
  • Pose 2: -7.336 kcal/mol
  • Pose 3: -7.176 kcal/mol
  • Pose 4: -7.093 kcal/mol
  • Pose 5: -7.012 kcal/mol
  • Pose 6: -7.002 kcal/mol
  • Pose 7: -6.668 kcal/mol
  • Pose 8: -6.654 kcal/mol
  • Pose 9: -6.624 kcal/mol
CHEMBL238516_dpp4
Energy Plot
RMSD Scatter Plot