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

Docking Result

CHEMBL590329_dpp4

Atoms: 261
Models: 9
Best Energy: -8.205 kcal/mol

Binding Energies:
  • Pose 1: -8.205 kcal/mol
  • Pose 2: -8.195 kcal/mol
  • Pose 3: -8.118 kcal/mol
  • Pose 4: -7.741 kcal/mol
  • Pose 5: -7.666 kcal/mol
  • Pose 6: -7.613 kcal/mol
  • Pose 7: -7.579 kcal/mol
  • Pose 8: -7.539 kcal/mol
  • Pose 9: -7.518 kcal/mol
CHEMBL590329_dpp4
Energy Plot
RMSD Scatter Plot