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

Docking Result

CHEMBL4438210_dpp4

Atoms: 297
Models: 9
Best Energy: -7.974 kcal/mol

Binding Energies:
  • Pose 1: -7.974 kcal/mol
  • Pose 2: -7.912 kcal/mol
  • Pose 3: -7.845 kcal/mol
  • Pose 4: -7.581 kcal/mol
  • Pose 5: -7.569 kcal/mol
  • Pose 6: -7.363 kcal/mol
  • Pose 7: -7.351 kcal/mol
  • Pose 8: -7.203 kcal/mol
  • Pose 9: -7.191 kcal/mol
CHEMBL4438210_dpp4
Energy Plot
RMSD Scatter Plot