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

Docking Result

CHEMBL238515_dpp4

Atoms: 261
Models: 9
Best Energy: -8.081 kcal/mol

Binding Energies:
  • Pose 1: -8.081 kcal/mol
  • Pose 2: -7.9 kcal/mol
  • Pose 3: -7.737 kcal/mol
  • Pose 4: -7.668 kcal/mol
  • Pose 5: -7.647 kcal/mol
  • Pose 6: -7.451 kcal/mol
  • Pose 7: -7.335 kcal/mol
  • Pose 8: -7.239 kcal/mol
  • Pose 9: -7.031 kcal/mol
CHEMBL238515_dpp4
Energy Plot
RMSD Scatter Plot