Generating a conformational landscape of ubiquitin chains at atomistic resolution by back-mapping based sampling

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SUMMARY

    Berg et_al used a modified MARTINI v2.2 (Marrink et_al, 2007; Monticelli et_al, 2008; de Jong et_al, 2013) CG force_field and machine_learning to describe and compare conformational spaces of di- and tri-Ub linked via all eight linkage-sites as well as free ubiquitins. It has been shown before that the RMD are very well suited to describe the domaindomain configurations in ubiquitin chains since they are sensitive to the protein interfaces and to the distances and relative orientations of the domains (Berg et_al, 2018; Berg and Peter, 2019; Berg et_al, 2020). All CG . . .

     

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