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

Docking Result

CHEMBL391720_dpp4

Atoms: 288
Models: 9
Best Energy: -7.728 kcal/mol

Binding Energies:
  • Pose 1: -7.728 kcal/mol
  • Pose 2: -7.647 kcal/mol
  • Pose 3: -7.632 kcal/mol
  • Pose 4: -7.327 kcal/mol
  • Pose 5: -7.23 kcal/mol
  • Pose 6: -7.104 kcal/mol
  • Pose 7: -7.068 kcal/mol
  • Pose 8: -7.053 kcal/mol
  • Pose 9: -7.026 kcal/mol
CHEMBL391720_dpp4
Energy Plot
RMSD Scatter Plot