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

Docking Result

CHEMBL2385302_dpp4

Atoms: 261
Models: 9
Best Energy: -8.244 kcal/mol

Binding Energies:
  • Pose 1: -8.244 kcal/mol
  • Pose 2: -8.081 kcal/mol
  • Pose 3: -7.936 kcal/mol
  • Pose 4: -7.811 kcal/mol
  • Pose 5: -7.789 kcal/mol
  • Pose 6: -7.738 kcal/mol
  • Pose 7: -7.685 kcal/mol
  • Pose 8: -7.608 kcal/mol
  • Pose 9: -7.542 kcal/mol
CHEMBL2385302_dpp4
Energy Plot
RMSD Scatter Plot