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

Docking Result

CHEMBL397241_dpp4

Atoms: 270
Models: 9
Best Energy: -6.041 kcal/mol

Binding Energies:
  • Pose 1: -6.041 kcal/mol
  • Pose 2: -5.852 kcal/mol
  • Pose 3: -5.787 kcal/mol
  • Pose 4: -5.738 kcal/mol
  • Pose 5: -5.735 kcal/mol
  • Pose 6: -5.616 kcal/mol
  • Pose 7: -5.573 kcal/mol
  • Pose 8: -5.555 kcal/mol
  • Pose 9: -5.392 kcal/mol
CHEMBL397241_dpp4
Energy Plot
RMSD Scatter Plot