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

Docking Result

CHEMBL139702_dpp4

Atoms: 243
Models: 9
Best Energy: -7.947 kcal/mol

Binding Energies:
  • Pose 1: -7.947 kcal/mol
  • Pose 2: -7.612 kcal/mol
  • Pose 3: -7.508 kcal/mol
  • Pose 4: -7.445 kcal/mol
  • Pose 5: -7.435 kcal/mol
  • Pose 6: -7.243 kcal/mol
  • Pose 7: -7.135 kcal/mol
  • Pose 8: -7.018 kcal/mol
  • Pose 9: -6.983 kcal/mol
CHEMBL139702_dpp4
Energy Plot
RMSD Scatter Plot