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

Docking Result

CHEMBL4780357_dpp4

Atoms: 270
Models: 9
Best Energy: -7.253 kcal/mol

Binding Energies:
  • Pose 1: -7.253 kcal/mol
  • Pose 2: -7.198 kcal/mol
  • Pose 3: -7.185 kcal/mol
  • Pose 4: -7.139 kcal/mol
  • Pose 5: -7.118 kcal/mol
  • Pose 6: -7.06 kcal/mol
  • Pose 7: -7.01 kcal/mol
  • Pose 8: -6.945 kcal/mol
  • Pose 9: -6.889 kcal/mol
CHEMBL4780357_dpp4
Energy Plot
RMSD Scatter Plot