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

Docking Result

CHEMBL3112961_dpp4

Atoms: 234
Models: 9
Best Energy: -8.244 kcal/mol

Binding Energies:
  • Pose 1: -8.244 kcal/mol
  • Pose 2: -7.746 kcal/mol
  • Pose 3: -7.411 kcal/mol
  • Pose 4: -7.324 kcal/mol
  • Pose 5: -7.293 kcal/mol
  • Pose 6: -7.056 kcal/mol
  • Pose 7: -6.932 kcal/mol
  • Pose 8: -6.888 kcal/mol
  • Pose 9: -6.827 kcal/mol
CHEMBL3112961_dpp4
Energy Plot
RMSD Scatter Plot