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

Docking Result

CHEMBL3329626_dpp4

Atoms: 261
Models: 9
Best Energy: -8.056 kcal/mol

Binding Energies:
  • Pose 1: -8.056 kcal/mol
  • Pose 2: -7.938 kcal/mol
  • Pose 3: -7.616 kcal/mol
  • Pose 4: -7.542 kcal/mol
  • Pose 5: -7.453 kcal/mol
  • Pose 6: -7.378 kcal/mol
  • Pose 7: -7.316 kcal/mol
  • Pose 8: -7.241 kcal/mol
  • Pose 9: -7.125 kcal/mol
CHEMBL3329626_dpp4
Energy Plot
RMSD Scatter Plot