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

Docking Result

CHEMBL3330056_dpp4

Atoms: 216
Models: 9
Best Energy: -7.202 kcal/mol

Binding Energies:
  • Pose 1: -7.202 kcal/mol
  • Pose 2: -7.094 kcal/mol
  • Pose 3: -7.001 kcal/mol
  • Pose 4: -6.805 kcal/mol
  • Pose 5: -6.705 kcal/mol
  • Pose 6: -6.674 kcal/mol
  • Pose 7: -6.648 kcal/mol
  • Pose 8: -6.627 kcal/mol
  • Pose 9: -6.529 kcal/mol
CHEMBL3330056_dpp4
Energy Plot
RMSD Scatter Plot