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Author(s)

F. Emil Thomasen, Matthew J. Cuneo, Tanja Mittag, Kresten Lindorff-Larsen

Title

Supporting data for Conformational and oligomeric states of SPOP from small-angle X-ray scattering and molecular dynamics simulations

Description

Coarse-grained molecular dynamics simulations with Martini 3 of SPOP (28-359) oligomers with 2-12 subunits are available here (labelled "CG"). All-atom backmapped simulations and ensembles of oligomers with up to 60 subunits (constructed based on the 12mer) are also available here (labelled "AAbackmapped"). The labels "MATHfree" and "MATHfixed" refer to how MATH domains were restrained in the MD simulations. This data is supporting information for "Conformational and oligomeric states of SPOP from small-angle X-ray scattering and molecular dynamics simulations".