The concept of intrinsically disordered proteins (IDPs) has emerged relatively slowly, but
over the past 20 years, it has become an intense research area in structural biology. Indeed …

This article reviews recent molecular dynamics simulations of the Alzheimer's amyloid-β
protein, the primary component of the amyloid plaques found in the brain of Alzheimer's …

The aggregation of amyloid beta (Aβ) peptides plays an important role in the development of
Alzheimer's disease. Despite extensive effort, it has been difficult to characterize the …

In this simulation study, we present a comparison of the secondary structure of the two major
alloforms of the Alzheimer's peptide (Aβ1–40 and Aβ1–42) on the basis of molecular …

Helical structures are ubiquitous in biological materials and often serve a structural purpose.
Bioinspired helical materials can be challenging to synthesize and rarely reach the degree …

Fragment density functional theory (DFT) calculation of NMR chemical shifts for several
proteins (Trp-cage, Pin1 WW domain, the third IgG-binding domain of Protein G (GB3) and …

Molecular dynamics (MD) simulations have been employed to study the conformational
dynamics of the partially disordered DNA binding basic leucine zipper domain of the yeast …

The oligomerization of amyloid beta (Aβ) peptides into soluble non-fibrillar species plays a
critical role in the pathogenesis of Alzheimer's disease. However, it has been challenging to …

This review article provides an overview of structurally oriented, experimental datasets that
can be used to benchmark protein force fields, focusing on data generated by nuclear …

Alzheimer's disease is a neurodegenerative disorder characterized by progressive
deposition of amyloid-beta (Aβ) peptides in brain parenchyma and cerebral blood vessels …