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

Docking Result

CHEMBL4646510_dpp4

Atoms: 297
Models: 9
Best Energy: -8.353 kcal/mol

Binding Energies:
  • Pose 1: -8.353 kcal/mol
  • Pose 2: -8.183 kcal/mol
  • Pose 3: -7.541 kcal/mol
  • Pose 4: -7.497 kcal/mol
  • Pose 5: -7.358 kcal/mol
  • Pose 6: -7.218 kcal/mol
  • Pose 7: -6.991 kcal/mol
  • Pose 8: -6.98 kcal/mol
  • Pose 9: -6.916 kcal/mol
CHEMBL4646510_dpp4
Energy Plot
RMSD Scatter Plot