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

Docking Result

CHEMBL4173215_dpp4

Atoms: 351
Models: 9
Best Energy: -9.737 kcal/mol

Binding Energies:
  • Pose 1: -9.737 kcal/mol
  • Pose 2: -9.297 kcal/mol
  • Pose 3: -8.989 kcal/mol
  • Pose 4: -8.746 kcal/mol
  • Pose 5: -8.638 kcal/mol
  • Pose 6: -8.394 kcal/mol
  • Pose 7: -8.355 kcal/mol
  • Pose 8: -8.239 kcal/mol
  • Pose 9: -8.174 kcal/mol
CHEMBL4173215_dpp4
Energy Plot
RMSD Scatter Plot