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

Docking Result

CHEMBL4527363_dpp4

Atoms: 297
Models: 9
Best Energy: -7.956 kcal/mol

Binding Energies:
  • Pose 1: -7.956 kcal/mol
  • Pose 2: -7.599 kcal/mol
  • Pose 3: -7.432 kcal/mol
  • Pose 4: -7.31 kcal/mol
  • Pose 5: -7.282 kcal/mol
  • Pose 6: -7.253 kcal/mol
  • Pose 7: -7.157 kcal/mol
  • Pose 8: -7.03 kcal/mol
  • Pose 9: -6.838 kcal/mol
CHEMBL4527363_dpp4
Energy Plot
RMSD Scatter Plot