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

Docking Result

CHEMBL374703_dpp4

Atoms: 234
Models: 9
Best Energy: -7.845 kcal/mol

Binding Energies:
  • Pose 1: -7.845 kcal/mol
  • Pose 2: -7.739 kcal/mol
  • Pose 3: -7.494 kcal/mol
  • Pose 4: -7.436 kcal/mol
  • Pose 5: -7.376 kcal/mol
  • Pose 6: -7.251 kcal/mol
  • Pose 7: -7.247 kcal/mol
  • Pose 8: -7.177 kcal/mol
  • Pose 9: -7.11 kcal/mol
CHEMBL374703_dpp4
Energy Plot
RMSD Scatter Plot