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

Docking Result

CHEMBL3330065_dpp4

Atoms: 225
Models: 9
Best Energy: -7.909 kcal/mol

Binding Energies:
  • Pose 1: -7.909 kcal/mol
  • Pose 2: -7.858 kcal/mol
  • Pose 3: -7.79 kcal/mol
  • Pose 4: -7.716 kcal/mol
  • Pose 5: -7.597 kcal/mol
  • Pose 6: -7.582 kcal/mol
  • Pose 7: -7.4 kcal/mol
  • Pose 8: -7.375 kcal/mol
  • Pose 9: -7.319 kcal/mol
CHEMBL3330065_dpp4
Energy Plot
RMSD Scatter Plot