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

Docking Result

CHEMBL4791505_dpp4

Atoms: 297
Models: 9
Best Energy: -8.183 kcal/mol

Binding Energies:
  • Pose 1: -8.183 kcal/mol
  • Pose 2: -7.763 kcal/mol
  • Pose 3: -7.627 kcal/mol
  • Pose 4: -7.529 kcal/mol
  • Pose 5: -7.485 kcal/mol
  • Pose 6: -7.302 kcal/mol
  • Pose 7: -7.261 kcal/mol
  • Pose 8: -7.231 kcal/mol
  • Pose 9: -7.129 kcal/mol
CHEMBL4791505_dpp4
Energy Plot
RMSD Scatter Plot