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

Docking Result

CHEMBL37260_dpp4

Atoms: 279
Models: 9
Best Energy: -8.553 kcal/mol

Binding Energies:
  • Pose 1: -8.553 kcal/mol
  • Pose 2: -8.221 kcal/mol
  • Pose 3: -7.925 kcal/mol
  • Pose 4: -7.846 kcal/mol
  • Pose 5: -7.811 kcal/mol
  • Pose 6: -7.716 kcal/mol
  • Pose 7: -7.703 kcal/mol
  • Pose 8: -7.643 kcal/mol
  • Pose 9: -7.592 kcal/mol
CHEMBL37260_dpp4
Energy Plot
RMSD Scatter Plot