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

Docking Result

CHEMBL470164_dpp4

Atoms: 351
Models: 9
Best Energy: -7.975 kcal/mol

Binding Energies:
  • Pose 1: -7.975 kcal/mol
  • Pose 2: -7.679 kcal/mol
  • Pose 3: -7.676 kcal/mol
  • Pose 4: -7.521 kcal/mol
  • Pose 5: -7.453 kcal/mol
  • Pose 6: -7.349 kcal/mol
  • Pose 7: -7.29 kcal/mol
  • Pose 8: -7.229 kcal/mol
  • Pose 9: -7.193 kcal/mol
CHEMBL470164_dpp4
Energy Plot
RMSD Scatter Plot