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

Docking Result

CHEMBL3928073_dpp4

Atoms: 252
Models: 9
Best Energy: -8.478 kcal/mol

Binding Energies:
  • Pose 1: -8.478 kcal/mol
  • Pose 2: -8.387 kcal/mol
  • Pose 3: -8.139 kcal/mol
  • Pose 4: -7.957 kcal/mol
  • Pose 5: -7.82 kcal/mol
  • Pose 6: -7.778 kcal/mol
  • Pose 7: -7.746 kcal/mol
  • Pose 8: -7.666 kcal/mol
  • Pose 9: -7.64 kcal/mol
CHEMBL3928073_dpp4
Energy Plot
RMSD Scatter Plot