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

Docking Result

CHEMBL3236113_dpp4

Atoms: 252
Models: 9
Best Energy: -8.264 kcal/mol

Binding Energies:
  • Pose 1: -8.264 kcal/mol
  • Pose 2: -7.765 kcal/mol
  • Pose 3: -7.694 kcal/mol
  • Pose 4: -7.637 kcal/mol
  • Pose 5: -7.622 kcal/mol
  • Pose 6: -7.552 kcal/mol
  • Pose 7: -7.367 kcal/mol
  • Pose 8: -7.2 kcal/mol
  • Pose 9: -7.127 kcal/mol
CHEMBL3236113_dpp4
Energy Plot
RMSD Scatter Plot