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

Docking Result

CHEMBL230388_dpp4

Atoms: 279
Models: 9
Best Energy: -6.079 kcal/mol

Binding Energies:
  • Pose 1: -6.079 kcal/mol
  • Pose 2: -6.013 kcal/mol
  • Pose 3: -6.002 kcal/mol
  • Pose 4: -5.871 kcal/mol
  • Pose 5: -5.859 kcal/mol
  • Pose 6: -5.75 kcal/mol
  • Pose 7: -5.702 kcal/mol
  • Pose 8: -5.584 kcal/mol
  • Pose 9: -5.404 kcal/mol
CHEMBL230388_dpp4
Energy Plot
RMSD Scatter Plot