Published January 16, 2024
| Version 0.0.1
Dataset
Open
MD simulations of phosphorylated peptides (GGXGXGG)
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1.
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:
- Pentapeptide simulations:
10.5281/zenodo.10517328 - Hexapeptides simulations:
10.5281/zenodo.10518872 - Heptapeptides simulations:
10.5281/zenodo.10518971 - Octapeptides simulations:
10.5281/zenodo.10518993 - Nonapeptides simulations:
10.5281/zenodo.10519033
Files
7peptides.zip
Files
(21.6 GB)
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md5:19ab59c42b01d9ea15f2b0ba7c38c177
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