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

Docking Result

CHEMBL1951601_dpp4

Atoms: 351
Models: 9
Best Energy: -8.717 kcal/mol

Binding Energies:
  • Pose 1: -8.717 kcal/mol
  • Pose 2: -8.598 kcal/mol
  • Pose 3: -8.558 kcal/mol
  • Pose 4: -8.41 kcal/mol
  • Pose 5: -8.389 kcal/mol
  • Pose 6: -8.267 kcal/mol
  • Pose 7: -8.218 kcal/mol
  • Pose 8: -8.213 kcal/mol
  • Pose 9: -8.18 kcal/mol
CHEMBL1951601_dpp4
Energy Plot
RMSD Scatter Plot