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

Docking Result

CHEMBL96229_dpp4

Atoms: 171
Models: 9
Best Energy: -7.17 kcal/mol

Binding Energies:
  • Pose 1: -7.17 kcal/mol
  • Pose 2: -7.169 kcal/mol
  • Pose 3: -6.841 kcal/mol
  • Pose 4: -6.654 kcal/mol
  • Pose 5: -6.581 kcal/mol
  • Pose 6: -6.572 kcal/mol
  • Pose 7: -6.125 kcal/mol
  • Pose 8: -5.994 kcal/mol
  • Pose 9: -5.891 kcal/mol
CHEMBL96229_dpp4
Energy Plot
RMSD Scatter Plot