Understanding the challenges of protein flexibility in drug design

@article{Antunes2015UnderstandingTC,
  title={Understanding the challenges of protein flexibility in drug design},
  author={Dinler Amaral Antunes and Didier Devaurs and Lydia E. Kavraki},
  journal={Expert Opinion on Drug Discovery},
  year={2015},
  volume={10},
  pages={1301 - 1313}
}
Introduction: Protein–ligand interactions play key roles in various metabolic pathways, and the proteins involved in these interactions represent major targets for drug discovery. Molecular docking is widely used to predict the structure of protein–ligand complexes, and protein flexibility stands out as one of the most important and challenging issues for binding mode prediction. Various docking methods accounting for protein flexibility have been proposed, tackling problems of ever-increasing… Expand
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