Including ligand-induced protein flexibility into protein tunnel prediction

@article{Kingsley2014IncludingLP,
  title={Including ligand-induced protein flexibility into protein tunnel prediction},
  author={Laura J. Kingsley and Markus A. Lill},
  journal={Journal of computational chemistry},
  year={2014},
  volume={35 24},
  pages={1748-56}
}
In proteins with buried active sites, understanding how ligands migrate through the tunnels that connect the exterior of the protein to the active site can shed light on substrate specificity and enzyme function. A growing body of evidence highlights the importance of protein flexibility in the binding site on ligand binding; however, the influence of… CONTINUE READING