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

Docking Result

CHEMBL3185489_dpp4

Atoms: 270
Models: 9
Best Energy: -8.399 kcal/mol

Binding Energies:
  • Pose 1: -8.399 kcal/mol
  • Pose 2: -8.325 kcal/mol
  • Pose 3: -8.269 kcal/mol
  • Pose 4: -8.261 kcal/mol
  • Pose 5: -8.236 kcal/mol
  • Pose 6: -8.215 kcal/mol
  • Pose 7: -8.141 kcal/mol
  • Pose 8: -8.076 kcal/mol
  • Pose 9: -7.949 kcal/mol
CHEMBL3185489_dpp4
Energy Plot
RMSD Scatter Plot