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

Docking Result

CHEMBL3357767_dpp4

Atoms: 248
Models: 8
Best Energy: -8.019 kcal/mol

Binding Energies:
  • Pose 1: -8.019 kcal/mol
  • Pose 2: -7.953 kcal/mol
  • Pose 3: -7.733 kcal/mol
  • Pose 4: -7.571 kcal/mol
  • Pose 5: -7.548 kcal/mol
  • Pose 6: -7.45 kcal/mol
  • Pose 7: -7.448 kcal/mol
  • Pose 8: -7.346 kcal/mol
CHEMBL3357767_dpp4
Energy Plot
RMSD Scatter Plot