New article on super-coarse grain modelling guided by collision cross-section

13361_2018_1974_Figa_HTMLThis 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.

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