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

Docking Result

CHEMBL1082716_dpp4

Atoms: 252
Models: 9
Best Energy: -8.412 kcal/mol

Binding Energies:
  • Pose 1: -8.412 kcal/mol
  • Pose 2: -7.984 kcal/mol
  • Pose 3: -7.665 kcal/mol
  • Pose 4: -7.565 kcal/mol
  • Pose 5: -7.234 kcal/mol
  • Pose 6: -6.96 kcal/mol
  • Pose 7: -6.918 kcal/mol
  • Pose 8: -6.914 kcal/mol
  • Pose 9: -6.905 kcal/mol
CHEMBL1082716_dpp4
Energy Plot
RMSD Scatter Plot