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

Docking Result

CHEMBL1650413_dpp4

Atoms: 261
Models: 9
Best Energy: -8.42 kcal/mol

Binding Energies:
  • Pose 1: -8.42 kcal/mol
  • Pose 2: -8.384 kcal/mol
  • Pose 3: -8.366 kcal/mol
  • Pose 4: -8.353 kcal/mol
  • Pose 5: -8.086 kcal/mol
  • Pose 6: -8.084 kcal/mol
  • Pose 7: -8.006 kcal/mol
  • Pose 8: -7.954 kcal/mol
  • Pose 9: -7.887 kcal/mol
CHEMBL1650413_dpp4
Energy Plot
RMSD Scatter Plot