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

Docking Result

CHEMBL196010_dpp4

Atoms: 306
Models: 9
Best Energy: -8.895 kcal/mol

Binding Energies:
  • Pose 1: -8.895 kcal/mol
  • Pose 2: -8.674 kcal/mol
  • Pose 3: -8.644 kcal/mol
  • Pose 4: -8.535 kcal/mol
  • Pose 5: -8.374 kcal/mol
  • Pose 6: -8.369 kcal/mol
  • Pose 7: -8.347 kcal/mol
  • Pose 8: -8.339 kcal/mol
  • Pose 9: -8.128 kcal/mol
CHEMBL196010_dpp4
Energy Plot
RMSD Scatter Plot