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

Docking Result

CHEMBL3805751_dpp4

Atoms: 279
Models: 9
Best Energy: -8.73 kcal/mol

Binding Energies:
  • Pose 1: -8.73 kcal/mol
  • Pose 2: -8.601 kcal/mol
  • Pose 3: -8.532 kcal/mol
  • Pose 4: -8.296 kcal/mol
  • Pose 5: -8.257 kcal/mol
  • Pose 6: -8.197 kcal/mol
  • Pose 7: -7.83 kcal/mol
  • Pose 8: -7.734 kcal/mol
  • Pose 9: -7.689 kcal/mol
CHEMBL3805751_dpp4
Energy Plot
RMSD Scatter Plot