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

Docking Result

CHEMBL180000_dpp4

Atoms: 261
Models: 9
Best Energy: -9.74 kcal/mol

Binding Energies:
  • Pose 1: -9.74 kcal/mol
  • Pose 2: -9.492 kcal/mol
  • Pose 3: -8.59 kcal/mol
  • Pose 4: -8.546 kcal/mol
  • Pose 5: -8.327 kcal/mol
  • Pose 6: -8.292 kcal/mol
  • Pose 7: -8.209 kcal/mol
  • Pose 8: -8.181 kcal/mol
  • Pose 9: -8.18 kcal/mol
CHEMBL180000_dpp4
Energy Plot
RMSD Scatter Plot