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

Docking Result

CHEMBL5922105_dpp4

Atoms: 288
Models: 9
Best Energy: -10.127 kcal/mol

Binding Energies:
  • Pose 1: -10.127 kcal/mol
  • Pose 2: -9.674 kcal/mol
  • Pose 3: -9.553 kcal/mol
  • Pose 4: -9.35 kcal/mol
  • Pose 5: -9.239 kcal/mol
  • Pose 6: -9.161 kcal/mol
  • Pose 7: -9.134 kcal/mol
  • Pose 8: -8.983 kcal/mol
  • Pose 9: -8.932 kcal/mol
CHEMBL5922105_dpp4
Energy Plot
RMSD Scatter Plot