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

Docking Result

CHEMBL5431503_dpp4

Atoms: 315
Models: 9
Best Energy: -8.572 kcal/mol

Binding Energies:
  • Pose 1: -8.572 kcal/mol
  • Pose 2: -8.48 kcal/mol
  • Pose 3: -8.096 kcal/mol
  • Pose 4: -8.052 kcal/mol
  • Pose 5: -8.04 kcal/mol
  • Pose 6: -7.79 kcal/mol
  • Pose 7: -7.748 kcal/mol
  • Pose 8: -7.728 kcal/mol
  • Pose 9: -7.697 kcal/mol
CHEMBL5431503_dpp4
Energy Plot
RMSD Scatter Plot