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

Docking Result

CHEMBL513543_dpp4

Atoms: 324
Models: 9
Best Energy: -8.962 kcal/mol

Binding Energies:
  • Pose 1: -8.962 kcal/mol
  • Pose 2: -8.629 kcal/mol
  • Pose 3: -8.507 kcal/mol
  • Pose 4: -8.34 kcal/mol
  • Pose 5: -8.292 kcal/mol
  • Pose 6: -8.23 kcal/mol
  • Pose 7: -8.212 kcal/mol
  • Pose 8: -8.142 kcal/mol
  • Pose 9: -8.132 kcal/mol
CHEMBL513543_dpp4
Energy Plot
RMSD Scatter Plot