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

Docking Result

CHEMBL153037_dpp4

Atoms: 243
Models: 9
Best Energy: -7.447 kcal/mol

Binding Energies:
  • Pose 1: -7.447 kcal/mol
  • Pose 2: -7.382 kcal/mol
  • Pose 3: -7.358 kcal/mol
  • Pose 4: -7.161 kcal/mol
  • Pose 5: -7.04 kcal/mol
  • Pose 6: -6.927 kcal/mol
  • Pose 7: -6.924 kcal/mol
  • Pose 8: -6.859 kcal/mol
  • Pose 9: -6.756 kcal/mol
CHEMBL153037_dpp4
Energy Plot
RMSD Scatter Plot