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

Docking Result

CHEMBL4563602_dpp4

Atoms: 207
Models: 9
Best Energy: -7.255 kcal/mol

Binding Energies:
  • Pose 1: -7.255 kcal/mol
  • Pose 2: -6.844 kcal/mol
  • Pose 3: -6.744 kcal/mol
  • Pose 4: -6.737 kcal/mol
  • Pose 5: -6.384 kcal/mol
  • Pose 6: -6.349 kcal/mol
  • Pose 7: -6.227 kcal/mol
  • Pose 8: -6.138 kcal/mol
  • Pose 9: -5.967 kcal/mol
CHEMBL4563602_dpp4
Energy Plot
RMSD Scatter Plot