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

Docking Result

CHEMBL2346923_dpp4

Atoms: 306
Models: 9
Best Energy: -8.644 kcal/mol

Binding Energies:
  • Pose 1: -8.644 kcal/mol
  • Pose 2: -8.172 kcal/mol
  • Pose 3: -8.07 kcal/mol
  • Pose 4: -8.039 kcal/mol
  • Pose 5: -7.982 kcal/mol
  • Pose 6: -7.861 kcal/mol
  • Pose 7: -7.799 kcal/mol
  • Pose 8: -7.764 kcal/mol
  • Pose 9: -7.737 kcal/mol
CHEMBL2346923_dpp4
Energy Plot
RMSD Scatter Plot