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

Docking Result

CHEMBL4169618_dpp4

Atoms: 270
Models: 9
Best Energy: -8.097 kcal/mol

Binding Energies:
  • Pose 1: -8.097 kcal/mol
  • Pose 2: -7.81 kcal/mol
  • Pose 3: -7.689 kcal/mol
  • Pose 4: -7.625 kcal/mol
  • Pose 5: -7.598 kcal/mol
  • Pose 6: -7.56 kcal/mol
  • Pose 7: -7.507 kcal/mol
  • Pose 8: -7.486 kcal/mol
  • Pose 9: -7.346 kcal/mol
CHEMBL4169618_dpp4
Energy Plot
RMSD Scatter Plot