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

Docking Result

CHEMBL4562685_dpp4

Atoms: 297
Models: 9
Best Energy: -7.908 kcal/mol

Binding Energies:
  • Pose 1: -7.908 kcal/mol
  • Pose 2: -7.393 kcal/mol
  • Pose 3: -7.385 kcal/mol
  • Pose 4: -7.355 kcal/mol
  • Pose 5: -7.295 kcal/mol
  • Pose 6: -7.294 kcal/mol
  • Pose 7: -7.275 kcal/mol
  • Pose 8: -7.151 kcal/mol
  • Pose 9: -7.121 kcal/mol
CHEMBL4562685_dpp4
Energy Plot
RMSD Scatter Plot