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

Docking Result

CHEMBL3734828_dpp4

Atoms: 297
Models: 9
Best Energy: -8.584 kcal/mol

Binding Energies:
  • Pose 1: -8.584 kcal/mol
  • Pose 2: -8.15 kcal/mol
  • Pose 3: -8.024 kcal/mol
  • Pose 4: -7.998 kcal/mol
  • Pose 5: -7.983 kcal/mol
  • Pose 6: -7.601 kcal/mol
  • Pose 7: -7.53 kcal/mol
  • Pose 8: -7.523 kcal/mol
  • Pose 9: -7.32 kcal/mol
CHEMBL3734828_dpp4
Energy Plot
RMSD Scatter Plot