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

Docking Result

CHEMBL2425076_dpp4

Atoms: 234
Models: 9
Best Energy: -8.091 kcal/mol

Binding Energies:
  • Pose 1: -8.091 kcal/mol
  • Pose 2: -7.788 kcal/mol
  • Pose 3: -7.51 kcal/mol
  • Pose 4: -7.488 kcal/mol
  • Pose 5: -7.133 kcal/mol
  • Pose 6: -7.068 kcal/mol
  • Pose 7: -7.024 kcal/mol
  • Pose 8: -6.988 kcal/mol
  • Pose 9: -6.98 kcal/mol
CHEMBL2425076_dpp4
Energy Plot
RMSD Scatter Plot