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

Docking Result

CHEMBL231995_dpp4

Atoms: 243
Models: 9
Best Energy: -7.269 kcal/mol

Binding Energies:
  • Pose 1: -7.269 kcal/mol
  • Pose 2: -7.245 kcal/mol
  • Pose 3: -6.999 kcal/mol
  • Pose 4: -6.745 kcal/mol
  • Pose 5: -6.735 kcal/mol
  • Pose 6: -6.691 kcal/mol
  • Pose 7: -6.654 kcal/mol
  • Pose 8: -6.557 kcal/mol
  • Pose 9: -6.476 kcal/mol
CHEMBL231995_dpp4
Energy Plot
RMSD Scatter Plot