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

Docking Result

CHEMBL6170772_dpp4

Atoms: 234
Models: 9
Best Energy: -7.563 kcal/mol

Binding Energies:
  • Pose 1: -7.563 kcal/mol
  • Pose 2: -7.381 kcal/mol
  • Pose 3: -7.369 kcal/mol
  • Pose 4: -7.229 kcal/mol
  • Pose 5: -7.153 kcal/mol
  • Pose 6: -7.129 kcal/mol
  • Pose 7: -6.998 kcal/mol
  • Pose 8: -6.944 kcal/mol
  • Pose 9: -6.876 kcal/mol
CHEMBL6170772_dpp4
Energy Plot
RMSD Scatter Plot