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

Docking Result

CHEMBL3932825_dpp4

Atoms: 270
Models: 9
Best Energy: -8.907 kcal/mol

Binding Energies:
  • Pose 1: -8.907 kcal/mol
  • Pose 2: -8.498 kcal/mol
  • Pose 3: -8.306 kcal/mol
  • Pose 4: -8.001 kcal/mol
  • Pose 5: -7.762 kcal/mol
  • Pose 6: -7.7 kcal/mol
  • Pose 7: -7.668 kcal/mol
  • Pose 8: -7.601 kcal/mol
  • Pose 9: -7.401 kcal/mol
CHEMBL3932825_dpp4
Energy Plot
RMSD Scatter Plot