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

Docking Result

CHEMBL5272644_dpp4

Atoms: 342
Models: 9
Best Energy: -9.159 kcal/mol

Binding Energies:
  • Pose 1: -9.159 kcal/mol
  • Pose 2: -8.78 kcal/mol
  • Pose 3: -8.773 kcal/mol
  • Pose 4: -8.764 kcal/mol
  • Pose 5: -8.745 kcal/mol
  • Pose 6: -8.674 kcal/mol
  • Pose 7: -8.54 kcal/mol
  • Pose 8: -8.472 kcal/mol
  • Pose 9: -8.394 kcal/mol
CHEMBL5272644_dpp4
Energy Plot
RMSD Scatter Plot