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

Docking Result

CHEMBL480943_dpp4

Atoms: 279
Models: 9
Best Energy: -8.568 kcal/mol

Binding Energies:
  • Pose 1: -8.568 kcal/mol
  • Pose 2: -8.335 kcal/mol
  • Pose 3: -8.327 kcal/mol
  • Pose 4: -8.266 kcal/mol
  • Pose 5: -8.165 kcal/mol
  • Pose 6: -8.133 kcal/mol
  • Pose 7: -8.125 kcal/mol
  • Pose 8: -8.123 kcal/mol
  • Pose 9: -8.105 kcal/mol
CHEMBL480943_dpp4
Energy Plot
RMSD Scatter Plot