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

Docking Result

CHEMBL4876894_dpp4

Atoms: 297
Models: 9
Best Energy: -7.712 kcal/mol

Binding Energies:
  • Pose 1: -7.712 kcal/mol
  • Pose 2: -7.57 kcal/mol
  • Pose 3: -7.54 kcal/mol
  • Pose 4: -7.223 kcal/mol
  • Pose 5: -7.174 kcal/mol
  • Pose 6: -7.16 kcal/mol
  • Pose 7: -7.153 kcal/mol
  • Pose 8: -7.149 kcal/mol
  • Pose 9: -7.146 kcal/mol
CHEMBL4876894_dpp4
Energy Plot
RMSD Scatter Plot