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Published in 2023 at "Frontiers in Chemistry"
DOI: 10.3389/fchem.2022.1087963
Abstract: Ubiquitin chains are flexible multidomain proteins that have important biological functions in cellular signalling. Computational studies with all-atom molecular dynamics simulations of the conformational spaces of polyubiquitins can be challenging due to the system size…
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Keywords:
ubiquitin chains;
back mapping;
conformational landscape;
based sampling ... See more keywords