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

Docking Result

CHEMBL5398811_dpp4

Atoms: 216
Models: 9
Best Energy: -7.782 kcal/mol

Binding Energies:
  • Pose 1: -7.782 kcal/mol
  • Pose 2: -7.566 kcal/mol
  • Pose 3: -7.457 kcal/mol
  • Pose 4: -7.451 kcal/mol
  • Pose 5: -7.336 kcal/mol
  • Pose 6: -7.243 kcal/mol
  • Pose 7: -7.226 kcal/mol
  • Pose 8: -7.162 kcal/mol
  • Pose 9: -7.089 kcal/mol
CHEMBL5398811_dpp4
Energy Plot
RMSD Scatter Plot