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

Docking Result

CHEMBL1085596_dpp4

Atoms: 234
Models: 9
Best Energy: -7.143 kcal/mol

Binding Energies:
  • Pose 1: -7.143 kcal/mol
  • Pose 2: -6.743 kcal/mol
  • Pose 3: -6.717 kcal/mol
  • Pose 4: -6.606 kcal/mol
  • Pose 5: -6.551 kcal/mol
  • Pose 6: -6.532 kcal/mol
  • Pose 7: -6.501 kcal/mol
  • Pose 8: -6.416 kcal/mol
  • Pose 9: -6.382 kcal/mol
CHEMBL1085596_dpp4
Energy Plot
RMSD Scatter Plot