Fleksy: a flexible approach to induced fit docking

@article{Wagener2010FleksyAF,
  title={Fleksy: a flexible approach to induced fit docking},
  author={M. Wagener and S. Nabuurs and J. D. Vlieg},
  journal={Journal of Cheminformatics},
  year={2010},
  volume={2},
  pages={O24 - O24}
}
Protein receptor rearrangements upon ligand binding are a major complicating factor in structure-based drug design. An accurate prediction of these so-called induced fit phenomena calls for ligand docking and virtual screening approaches capable of considering receptor flexibility. We present Fleksy [1], a flexible approach aimed at accurately positioning small molecule ligands into a protein receptor, while taking both ligand and receptor flexibility into account. Our method consists of an… Expand
2 Citations
Homology modelling and spectroscopy, a never-ending love story

References

SHOWING 1-6 OF 6 REFERENCES
A flexible approach to induced fit docking.
J Med Chem
  • J Med Chem
  • 2007
J Mol Biol
  • J Mol Biol
  • 2001
J Mol Biol
  • J Mol Biol
  • 1996