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

Docking Result

CHEMBL4745258_dpp4

Atoms: 378
Models: 9
Best Energy: -8.705 kcal/mol

Binding Energies:
  • Pose 1: -8.705 kcal/mol
  • Pose 2: -8.203 kcal/mol
  • Pose 3: -8.085 kcal/mol
  • Pose 4: -8.08 kcal/mol
  • Pose 5: -8.063 kcal/mol
  • Pose 6: -8.004 kcal/mol
  • Pose 7: -7.901 kcal/mol
  • Pose 8: -7.778 kcal/mol
  • Pose 9: -7.762 kcal/mol
CHEMBL4745258_dpp4
Energy Plot
RMSD Scatter Plot