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

Docking Result

CHEMBL3644803_dpp4

Atoms: 351
Models: 9
Best Energy: -8.946 kcal/mol

Binding Energies:
  • Pose 1: -8.946 kcal/mol
  • Pose 2: -8.923 kcal/mol
  • Pose 3: -8.84 kcal/mol
  • Pose 4: -8.608 kcal/mol
  • Pose 5: -8.56 kcal/mol
  • Pose 6: -8.396 kcal/mol
  • Pose 7: -8.387 kcal/mol
  • Pose 8: -8.307 kcal/mol
  • Pose 9: -8.227 kcal/mol
CHEMBL3644803_dpp4
Energy Plot
RMSD Scatter Plot