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

Docking Result

CHEMBL3697945_dpp4

Atoms: 297
Models: 9
Best Energy: -8.529 kcal/mol

Binding Energies:
  • Pose 1: -8.529 kcal/mol
  • Pose 2: -8.346 kcal/mol
  • Pose 3: -8.343 kcal/mol
  • Pose 4: -8.297 kcal/mol
  • Pose 5: -8.286 kcal/mol
  • Pose 6: -8.239 kcal/mol
  • Pose 7: -7.985 kcal/mol
  • Pose 8: -7.536 kcal/mol
  • Pose 9: -7.432 kcal/mol
CHEMBL3697945_dpp4
Energy Plot
RMSD Scatter Plot