This work studies the way collision cross-section measurements can guide the modelling of large protein assemblies represented as super coarse-grain objects (i.e. a single big sphere per protein).
We show that there exists a relationship between spheres overlap and collision cross-section that can be leveraged to define modelling restraints on a per-case scenario.
Degiacomi, M.T. ✉, On the Effect of Sphere-Overlap on Super Coarse-Grained Models of Protein Assemblies (2018), Journal of the American Mass Spectrometry Society
On a maybe less serious note, this work meets the stringent requirements of the “Palatinate Challenge” set up within Durham University computational chemistry groups.