MD simulations of phosphorylated peptides (GGXGG)

<p>This repository contains MD simulations and associated analyses of a peptide series of short peptides including phosphorylated residues. It is one of six repositories that are associated to the following research article:</p> <blockquote> <p>Bickel,D., and Vranken,W. (2024) Effects of Phosphorylation on Protein Backbone Dynamics and Conformational Preferences. <em>J. Chem. Theory Comput</em>. https://doi.org/10.1021/acs.jctc.4c00206.</p> </blockquote> <p>The full list of the related repositories is given here:</p> <ol> <li>Pentapeptide simulations: <code>10.5281/zenodo.10517328</code></li> <li>Hexapeptides simulations: <code>10.5281/zenodo.10518872</code></li> <li>Heptapeptides simulations: <code>10.5281/zenodo.10518971</code></li> <li>Octapeptides simulations: <code>10.5281/zenodo.10518993</code></li> <li>Nonapeptides simulations: <code>10.5281/zenodo.10519033</code></li> </ol>