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

Docking Result

CHEMBL2425075_dpp4

Atoms: 243
Models: 9
Best Energy: -8.112 kcal/mol

Binding Energies:
  • Pose 1: -8.112 kcal/mol
  • Pose 2: -7.835 kcal/mol
  • Pose 3: -7.831 kcal/mol
  • Pose 4: -7.666 kcal/mol
  • Pose 5: -7.594 kcal/mol
  • Pose 6: -7.56 kcal/mol
  • Pose 7: -7.529 kcal/mol
  • Pose 8: -7.306 kcal/mol
  • Pose 9: -7.145 kcal/mol
CHEMBL2425075_dpp4
Energy Plot
RMSD Scatter Plot