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

Docking Result

CHEMBL2153744_dpp4

Atoms: 441
Models: 9
Best Energy: -7.775 kcal/mol

Binding Energies:
  • Pose 1: -7.775 kcal/mol
  • Pose 2: -7.723 kcal/mol
  • Pose 3: -7.69 kcal/mol
  • Pose 4: -7.615 kcal/mol
  • Pose 5: -7.448 kcal/mol
  • Pose 6: -7.303 kcal/mol
  • Pose 7: -7.292 kcal/mol
  • Pose 8: -7.258 kcal/mol
  • Pose 9: -7.256 kcal/mol
CHEMBL2153744_dpp4
Energy Plot
RMSD Scatter Plot