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

Docking Result

CHEMBL3127985_dpp4

Atoms: 216
Models: 9
Best Energy: -7.646 kcal/mol

Binding Energies:
  • Pose 1: -7.646 kcal/mol
  • Pose 2: -7.569 kcal/mol
  • Pose 3: -7.457 kcal/mol
  • Pose 4: -7.434 kcal/mol
  • Pose 5: -7.236 kcal/mol
  • Pose 6: -7.227 kcal/mol
  • Pose 7: -7.221 kcal/mol
  • Pose 8: -7.115 kcal/mol
  • Pose 9: -7.095 kcal/mol
CHEMBL3127985_dpp4
Energy Plot
RMSD Scatter Plot