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

Docking Result

CHEMBL1650422_dpp4

Atoms: 243
Models: 9
Best Energy: -7.335 kcal/mol

Binding Energies:
  • Pose 1: -7.335 kcal/mol
  • Pose 2: -7.186 kcal/mol
  • Pose 3: -7.175 kcal/mol
  • Pose 4: -7.074 kcal/mol
  • Pose 5: -6.969 kcal/mol
  • Pose 6: -6.941 kcal/mol
  • Pose 7: -6.927 kcal/mol
  • Pose 8: -6.899 kcal/mol
  • Pose 9: -6.764 kcal/mol
CHEMBL1650422_dpp4
Energy Plot
RMSD Scatter Plot