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

Docking Result

CHEMBL4776967_dpp4

Atoms: 297
Models: 9
Best Energy: -8.482 kcal/mol

Binding Energies:
  • Pose 1: -8.482 kcal/mol
  • Pose 2: -8.445 kcal/mol
  • Pose 3: -8.397 kcal/mol
  • Pose 4: -8.394 kcal/mol
  • Pose 5: -8.293 kcal/mol
  • Pose 6: -8.139 kcal/mol
  • Pose 7: -7.98 kcal/mol
  • Pose 8: -7.901 kcal/mol
  • Pose 9: -7.9 kcal/mol
CHEMBL4776967_dpp4
Energy Plot
RMSD Scatter Plot