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

Docking Result

CHEMBL1683644_dpp4

Atoms: 396
Models: 9
Best Energy: -8.135 kcal/mol

Binding Energies:
  • Pose 1: -8.135 kcal/mol
  • Pose 2: -7.636 kcal/mol
  • Pose 3: -7.352 kcal/mol
  • Pose 4: -7.295 kcal/mol
  • Pose 5: -7.274 kcal/mol
  • Pose 6: -7.187 kcal/mol
  • Pose 7: -7.179 kcal/mol
  • Pose 8: -7.096 kcal/mol
  • Pose 9: -7.022 kcal/mol
CHEMBL1683644_dpp4
Energy Plot
RMSD Scatter Plot