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

Docking Result

CHEMBL1812907_dpp4

Atoms: 243
Models: 9
Best Energy: -7.953 kcal/mol

Binding Energies:
  • Pose 1: -7.953 kcal/mol
  • Pose 2: -7.639 kcal/mol
  • Pose 3: -7.412 kcal/mol
  • Pose 4: -7.388 kcal/mol
  • Pose 5: -7.179 kcal/mol
  • Pose 6: -6.882 kcal/mol
  • Pose 7: -6.852 kcal/mol
  • Pose 8: -6.835 kcal/mol
  • Pose 9: -6.688 kcal/mol
CHEMBL1812907_dpp4
Energy Plot
RMSD Scatter Plot