3 papers
q-bio.BM2026
Detection of residual native state entropy changes upon mutation in Fyn SH3
Kresten Lindorff-Larsen, Robert B. Best, Anthony Mittermaier +3
NMR relaxation experiments have shown that there are small but measurable changes in the native state dynamics of the Fyn SH3 domain associated with the substitution by other amino…
q-bio.BM2025
The need to implement FAIR principles in biomolecular simulations
Rommie Amaro, Johan à qvist, Ivet Bahar +125
This letter illustrates the opinion of the molecular dynamics (MD) community on the need to adopt a new FAIR paradigm for the use of molecular simulations. It highlights the necess…
q-bio.BM2025
Machine learning methods to study sequence-ensemble-function relationships in disordered proteins
Sören von Bülow, Giulio Tesei, Kresten Lindorff-Larsen
Recent years have seen tremendous developments in the use of machine learning models to link amino acid sequence, structure and function of folded proteins. These methods are, howe…