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

Docking Result

CHEMBL3084954_dpp4

Atoms: 279
Models: 9
Best Energy: -7.356 kcal/mol

Binding Energies:
  • Pose 1: -7.356 kcal/mol
  • Pose 2: -7.31 kcal/mol
  • Pose 3: -7.079 kcal/mol
  • Pose 4: -7.069 kcal/mol
  • Pose 5: -6.889 kcal/mol
  • Pose 6: -6.888 kcal/mol
  • Pose 7: -6.842 kcal/mol
  • Pose 8: -6.837 kcal/mol
  • Pose 9: -6.776 kcal/mol
CHEMBL3084954_dpp4
Energy Plot
RMSD Scatter Plot