Alzheimer's disease (AD) challenges our society with an annual estimated cost of $1.08
trillion in the United States alone by 2050. 1 AD is a progressive irreversible neurological …

Amyloids, fibrillar assembly of (poly) peptide chains, are associated with neurodegenerative
illnesses such as Alzheimer's and Parkinson's diseases, for which there are no cures. The …

Progressive cerebral deposition of the amyloid β-protein (Aβ) in brain regions serving
memory and cognition is an invariant and defining feature of Alzheimer disease. A highly …

Intrinsically disordered proteins (IDPs) play many biological roles in the human proteome
ranging from vesicular transport, signal transduction to neurodegenerative diseases. The Aβ …

Amyloids can have normal biological functions. 1r3 However, amyloidogenic proteins can
also form unwanted oligomeric or polymeric aggregates when disturbed from their native …

We investigated the effects of 17 widely used atomistic molecular mechanics force fields
(MMFFs) on the structures and kinetics of amyloid peptide assembly. To this end, we …

The dimer of the amyloid-β peptide Aβ of 42 residues is the smallest toxic species in
Alzheimer's disease, but its equilibrium structures are unknown. Here we determined the …

Intrinsically disordered proteins are essential for biological processes such as cell
signalling, but are also associated to devastating diseases including Alzheimer's disease …

The OPEP coarse-grained protein model has been applied to a wide range of applications
since its first release 15 years ago. The model, which combines energetic and structural …

The understanding of the complex conformational landscape of amyloid aggregation and its
modulation by relevant physicochemical and cellular factors is a prerequisite for elucidating …