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

Docking Result

CHEMBL3934008_dpp4

Atoms: 243
Models: 9
Best Energy: -8.046 kcal/mol

Binding Energies:
  • Pose 1: -8.046 kcal/mol
  • Pose 2: -7.953 kcal/mol
  • Pose 3: -7.93 kcal/mol
  • Pose 4: -7.746 kcal/mol
  • Pose 5: -7.715 kcal/mol
  • Pose 6: -7.501 kcal/mol
  • Pose 7: -7.254 kcal/mol
  • Pose 8: -7.027 kcal/mol
  • Pose 9: -6.99 kcal/mol
CHEMBL3934008_dpp4
Energy Plot
RMSD Scatter Plot