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

Docking Result

CHEMBL4217326_dpp4

Atoms: 243
Models: 9
Best Energy: -7.702 kcal/mol

Binding Energies:
  • Pose 1: -7.702 kcal/mol
  • Pose 2: -7.643 kcal/mol
  • Pose 3: -7.361 kcal/mol
  • Pose 4: -7.252 kcal/mol
  • Pose 5: -7.179 kcal/mol
  • Pose 6: -7.133 kcal/mol
  • Pose 7: -7.096 kcal/mol
  • Pose 8: -7.009 kcal/mol
  • Pose 9: -7 kcal/mol
CHEMBL4217326_dpp4
Energy Plot
RMSD Scatter Plot