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

Docking Result

CHEMBL185601_dpp4

Atoms: 207
Models: 9
Best Energy: -7.31 kcal/mol

Binding Energies:
  • Pose 1: -7.31 kcal/mol
  • Pose 2: -7.276 kcal/mol
  • Pose 3: -7.087 kcal/mol
  • Pose 4: -7.068 kcal/mol
  • Pose 5: -7.05 kcal/mol
  • Pose 6: -6.921 kcal/mol
  • Pose 7: -6.85 kcal/mol
  • Pose 8: -6.78 kcal/mol
  • Pose 9: -6.733 kcal/mol
CHEMBL185601_dpp4
Energy Plot
RMSD Scatter Plot