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

Docking Result

CHEMBL1683571_dpp4

Atoms: 270
Models: 9
Best Energy: -8.464 kcal/mol

Binding Energies:
  • Pose 1: -8.464 kcal/mol
  • Pose 2: -8.391 kcal/mol
  • Pose 3: -8.301 kcal/mol
  • Pose 4: -8.227 kcal/mol
  • Pose 5: -8.06 kcal/mol
  • Pose 6: -8.003 kcal/mol
  • Pose 7: -7.873 kcal/mol
  • Pose 8: -7.83 kcal/mol
  • Pose 9: -7.704 kcal/mol
CHEMBL1683571_dpp4
Energy Plot
RMSD Scatter Plot