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

Docking Result

CHEMBL186566_dpp4

Atoms: 198
Models: 9
Best Energy: -7.594 kcal/mol

Binding Energies:
  • Pose 1: -7.594 kcal/mol
  • Pose 2: -7.457 kcal/mol
  • Pose 3: -7.443 kcal/mol
  • Pose 4: -7.347 kcal/mol
  • Pose 5: -7.276 kcal/mol
  • Pose 6: -7.163 kcal/mol
  • Pose 7: -7.096 kcal/mol
  • Pose 8: -6.637 kcal/mol
  • Pose 9: -6.613 kcal/mol
CHEMBL186566_dpp4
Energy Plot
RMSD Scatter Plot