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

Docking Result

CHEMBL3644785_dpp4

Atoms: 333
Models: 9
Best Energy: -8.516 kcal/mol

Binding Energies:
  • Pose 1: -8.516 kcal/mol
  • Pose 2: -8.382 kcal/mol
  • Pose 3: -8.254 kcal/mol
  • Pose 4: -8.247 kcal/mol
  • Pose 5: -8.093 kcal/mol
  • Pose 6: -8.066 kcal/mol
  • Pose 7: -7.985 kcal/mol
  • Pose 8: -7.898 kcal/mol
  • Pose 9: -7.892 kcal/mol
CHEMBL3644785_dpp4
Energy Plot
RMSD Scatter Plot