, Theoretical and Computational Biophysics, Max-Planck-Institut für biophysikalische Chemie, Göttingen (Germany)
HPC Platform used:
SuperMUC of LRZ
Local Project ID:
The structural characterization of disordered proteins is an inherently under-determined problem: a small number of restraints are insuﬃcient to uniquely define the conformations of a system with thousands of degrees of freedom. Molecular simulations, with their empirical force fields, can oﬀer the additional information required to obtain conformational ensembles for disordered states of proteins. However, these simulations must contend with a massive sampling problem, which was successfully achieved by a team of scientists of the Max Planck Institute for Biophysical Chemistry in Göttingen using HPC system SuperMUC.