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

Docking Result

CHEMBL3233542_dpp4

Atoms: 216
Models: 9
Best Energy: -8.049 kcal/mol

Binding Energies:
  • Pose 1: -8.049 kcal/mol
  • Pose 2: -8.015 kcal/mol
  • Pose 3: -7.851 kcal/mol
  • Pose 4: -7.729 kcal/mol
  • Pose 5: -7.717 kcal/mol
  • Pose 6: -7.62 kcal/mol
  • Pose 7: -7.609 kcal/mol
  • Pose 8: -7.551 kcal/mol
  • Pose 9: -7.501 kcal/mol
CHEMBL3233542_dpp4
Energy Plot
RMSD Scatter Plot