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

Docking Result

CHEMBL4776573_dpp4

Atoms: 342
Models: 9
Best Energy: -9.388 kcal/mol

Binding Energies:
  • Pose 1: -9.388 kcal/mol
  • Pose 2: -8.809 kcal/mol
  • Pose 3: -8.745 kcal/mol
  • Pose 4: -8.738 kcal/mol
  • Pose 5: -8.629 kcal/mol
  • Pose 6: -8.604 kcal/mol
  • Pose 7: -8.6 kcal/mol
  • Pose 8: -8.559 kcal/mol
  • Pose 9: -8.467 kcal/mol
CHEMBL4776573_dpp4
Energy Plot
RMSD Scatter Plot