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Published January 16, 2024 | Version 0.0.1
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MD simulations of phosphorylated peptides (GGXXGG)

Creators

  • 1. ROR icon Vrije Universiteit Brussel

Description

This repository contains MD simulations and associated analyses of a peptide series of short peptides including phosphorylated residues. It is one of five repositories that are associated to the following research article:

Bickel,D., and Vranken,W. (2024) Effects of Phosphorylation on Protein Backbone Dynamics and Conformational Preferences. J. Chem. Theory Comput. https://doi.org/10.1021/acs.jctc.4c00206.

The full list of the related repositories is given here:

  1. Pentapeptide simulations: 10.5281/zenodo.10517328
  2. Hexapeptides simulations: 10.5281/zenodo.10518872
  3. Heptapeptides simulations: 10.5281/zenodo.10518971
  4. Octapeptides simulations: 10.5281/zenodo.10518993
  5. Nonapeptides simulations: 10.5281/zenodo.10519033

Files

6peptides.zip

Files (20.2 GB)

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md5:582dc5ad67cd0ab1526cfec394f48003
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Additional details

Funding

Research Foundation - Flanders
ProteinContour G028821