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

Docking Result

CHEMBL3644782_dpp4

Atoms: 333
Models: 9
Best Energy: -8.913 kcal/mol

Binding Energies:
  • Pose 1: -8.913 kcal/mol
  • Pose 2: -8.701 kcal/mol
  • Pose 3: -8.607 kcal/mol
  • Pose 4: -8.569 kcal/mol
  • Pose 5: -8.538 kcal/mol
  • Pose 6: -8.481 kcal/mol
  • Pose 7: -8.402 kcal/mol
  • Pose 8: -8.318 kcal/mol
  • Pose 9: -8.269 kcal/mol
CHEMBL3644782_dpp4
Energy Plot
RMSD Scatter Plot