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

Docking Result

CHEMBL3892233_dpp4

Atoms: 243
Models: 9
Best Energy: -8.528 kcal/mol

Binding Energies:
  • Pose 1: -8.528 kcal/mol
  • Pose 2: -8.463 kcal/mol
  • Pose 3: -8.441 kcal/mol
  • Pose 4: -8.292 kcal/mol
  • Pose 5: -8.159 kcal/mol
  • Pose 6: -8.146 kcal/mol
  • Pose 7: -7.954 kcal/mol
  • Pose 8: -7.94 kcal/mol
  • Pose 9: -7.93 kcal/mol
CHEMBL3892233_dpp4
Energy Plot
RMSD Scatter Plot