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

Docking Result

CHEMBL3687982_dpp4

Atoms: 306
Models: 9
Best Energy: -8.167 kcal/mol

Binding Energies:
  • Pose 1: -8.167 kcal/mol
  • Pose 2: -8.06 kcal/mol
  • Pose 3: -7.961 kcal/mol
  • Pose 4: -7.637 kcal/mol
  • Pose 5: -7.609 kcal/mol
  • Pose 6: -7.597 kcal/mol
  • Pose 7: -7.58 kcal/mol
  • Pose 8: -7.38 kcal/mol
  • Pose 9: -7.329 kcal/mol
CHEMBL3687982_dpp4
Energy Plot
RMSD Scatter Plot