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

Docking Result

CHEMBL37980_dpp4

Atoms: 252
Models: 9
Best Energy: -8.307 kcal/mol

Binding Energies:
  • Pose 1: -8.307 kcal/mol
  • Pose 2: -8.04 kcal/mol
  • Pose 3: -7.834 kcal/mol
  • Pose 4: -7.594 kcal/mol
  • Pose 5: -7.539 kcal/mol
  • Pose 6: -7.338 kcal/mol
  • Pose 7: -7.153 kcal/mol
  • Pose 8: -6.988 kcal/mol
  • Pose 9: -6.952 kcal/mol
CHEMBL37980_dpp4
Energy Plot
RMSD Scatter Plot