Xplor–NIH [1] is a generalized package for biomolecular structure determination from
experimental NMR data combined with known geometric data. This is achieved by seeking …

Misfolded α-synuclein amyloid fibrils are the principal components of Lewy bodies and
neurites, hallmarks of Parkinson's disease (PD). We present a high-resolution structure of an …

Although conformationally heterogeneous states of proteins are involved in a range of
important biological processes, including protein folding and misfolding, and signal …

Patients with type 1 diabetes mellitus who are dependent on an external supply of insulin
develop insulin-derived amyloidosis at the sites of insulin injection. A major component of …

Misfolding of the protein α-synuclein (aS), which associates with presynaptic vesicles, has
been implicated in the molecular chain of events leading to Parkinson's disease. Here, the …

Obtaining the correct balance of secondary structure propensities is a central priority in
protein force-field development. Given that current force fields differ significantly in their α …

Xplor‐NIH is a popular software package for biomolecular structure determination from
nuclear magnetic resonance (NMR) and other data sources. Here, some of Xplor‐NIH's most …

Structural genomics projects are providing large quantities of new 3D structural data for
proteins. To monitor the quality of these data, we have developed the protein structure …

Interactions between polar atoms are challenging to model because at very short ranges
they form hydrogen bonds (H-bonds) that are partially covalent in character and exhibit …

Heterodimeric integrin adhesion receptors regulate cell migration, survival and
differentiation in metazoa by communicating signals bi‐directionally across the plasma …