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

Docking Result

CHEMBL1688515_dpp4

Atoms: 207
Models: 9
Best Energy: -6.739 kcal/mol

Binding Energies:
  • Pose 1: -6.739 kcal/mol
  • Pose 2: -6.677 kcal/mol
  • Pose 3: -6.607 kcal/mol
  • Pose 4: -6.528 kcal/mol
  • Pose 5: -6.486 kcal/mol
  • Pose 6: -6.481 kcal/mol
  • Pose 7: -6.445 kcal/mol
  • Pose 8: -6.424 kcal/mol
  • Pose 9: -6.405 kcal/mol
CHEMBL1688515_dpp4
Energy Plot
RMSD Scatter Plot