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

Docking Result

CHEMBL4460852_dpp4

Atoms: 315
Models: 9
Best Energy: -9.794 kcal/mol

Binding Energies:
  • Pose 1: -9.794 kcal/mol
  • Pose 2: -9.368 kcal/mol
  • Pose 3: -9.302 kcal/mol
  • Pose 4: -9.152 kcal/mol
  • Pose 5: -9.139 kcal/mol
  • Pose 6: -8.829 kcal/mol
  • Pose 7: -8.786 kcal/mol
  • Pose 8: -8.628 kcal/mol
  • Pose 9: -8.475 kcal/mol
CHEMBL4460852_dpp4
Energy Plot
RMSD Scatter Plot