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

Docking Result

CHEMBL3735917_dpp4

Atoms: 270
Models: 9
Best Energy: -8.324 kcal/mol

Binding Energies:
  • Pose 1: -8.324 kcal/mol
  • Pose 2: -7.747 kcal/mol
  • Pose 3: -7.545 kcal/mol
  • Pose 4: -7.399 kcal/mol
  • Pose 5: -7.338 kcal/mol
  • Pose 6: -7.259 kcal/mol
  • Pose 7: -7.233 kcal/mol
  • Pose 8: -7.091 kcal/mol
  • Pose 9: -6.924 kcal/mol
CHEMBL3735917_dpp4
Energy Plot
RMSD Scatter Plot