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

Docking Result

CHEMBL482261_dpp4

Atoms: 225
Models: 9
Best Energy: -7.56 kcal/mol

Binding Energies:
  • Pose 1: -7.56 kcal/mol
  • Pose 2: -7.549 kcal/mol
  • Pose 3: -7.508 kcal/mol
  • Pose 4: -7.381 kcal/mol
  • Pose 5: -7.36 kcal/mol
  • Pose 6: -7.229 kcal/mol
  • Pose 7: -7.126 kcal/mol
  • Pose 8: -7.087 kcal/mol
  • Pose 9: -7.058 kcal/mol
CHEMBL482261_dpp4
Energy Plot
RMSD Scatter Plot