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

Docking Result

CHEMBL5425473_dpp4

Atoms: 207
Models: 9
Best Energy: -8.263 kcal/mol

Binding Energies:
  • Pose 1: -8.263 kcal/mol
  • Pose 2: -7.921 kcal/mol
  • Pose 3: -7.673 kcal/mol
  • Pose 4: -7.618 kcal/mol
  • Pose 5: -7.487 kcal/mol
  • Pose 6: -7.431 kcal/mol
  • Pose 7: -7.399 kcal/mol
  • Pose 8: -7.178 kcal/mol
  • Pose 9: -7.154 kcal/mol
CHEMBL5425473_dpp4
Energy Plot
RMSD Scatter Plot