Phosphorylation of a Disordered Peptide – Structural Effects and Force Field Inconsistencies

Authors Ellen Rieloff, Marie Skepö
Details Ellen Rieloff et al; J Chem Theory Comput; 2020
DOI 10.1021/acs.jctc.9b01190
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Jill Bouchard
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Jill Bouchard
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Correctly simulating IDPs is hard enough. Adding PTMs takes it to a whole other level. Here’s a cautionary note to use the correct force-field.