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

Docking Result

CHEMBL2425885_dpp4

Atoms: 288
Models: 9
Best Energy: -8.226 kcal/mol

Binding Energies:
  • Pose 1: -8.226 kcal/mol
  • Pose 2: -7.553 kcal/mol
  • Pose 3: -7.334 kcal/mol
  • Pose 4: -7.326 kcal/mol
  • Pose 5: -7.259 kcal/mol
  • Pose 6: -7.217 kcal/mol
  • Pose 7: -7.216 kcal/mol
  • Pose 8: -7.112 kcal/mol
  • Pose 9: -7.022 kcal/mol
CHEMBL2425885_dpp4
Energy Plot
RMSD Scatter Plot