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

Docking Result

CHEMBL370540_dpp4

Atoms: 234
Models: 9
Best Energy: -7.626 kcal/mol

Binding Energies:
  • Pose 1: -7.626 kcal/mol
  • Pose 2: -7.302 kcal/mol
  • Pose 3: -7.281 kcal/mol
  • Pose 4: -7.204 kcal/mol
  • Pose 5: -7.17 kcal/mol
  • Pose 6: -7.164 kcal/mol
  • Pose 7: -7.122 kcal/mol
  • Pose 8: -7.076 kcal/mol
  • Pose 9: -6.928 kcal/mol
CHEMBL370540_dpp4
Energy Plot
RMSD Scatter Plot