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

Docking Result

CHEMBL4865204_dpp4

Atoms: 297
Models: 9
Best Energy: -7.86 kcal/mol

Binding Energies:
  • Pose 1: -7.86 kcal/mol
  • Pose 2: -7.683 kcal/mol
  • Pose 3: -7.668 kcal/mol
  • Pose 4: -7.519 kcal/mol
  • Pose 5: -7.435 kcal/mol
  • Pose 6: -7.33 kcal/mol
  • Pose 7: -7.255 kcal/mol
  • Pose 8: -7.129 kcal/mol
  • Pose 9: -6.995 kcal/mol
CHEMBL4865204_dpp4
Energy Plot
RMSD Scatter Plot