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

Docking Result

CHEMBL470477_dpp4

Atoms: 162
Models: 9
Best Energy: -6.257 kcal/mol

Binding Energies:
  • Pose 1: -6.257 kcal/mol
  • Pose 2: -6.203 kcal/mol
  • Pose 3: -6.176 kcal/mol
  • Pose 4: -6.146 kcal/mol
  • Pose 5: -6.112 kcal/mol
  • Pose 6: -6.111 kcal/mol
  • Pose 7: -6.076 kcal/mol
  • Pose 8: -5.973 kcal/mol
  • Pose 9: -5.941 kcal/mol
CHEMBL470477_dpp4
Energy Plot
RMSD Scatter Plot