The protein folding problem was apparently solved recently by the advent of a deep learning method for protein structure prediction called AlphaFold.…
This review will focus on the process of amyloid-type protein aggregation. Amyloid fibrils are an important hallmark of protein misfolding diseases…
Aggregates of the amyloid-β (Aβ) peptide are implicated as a causative substance in Alzheimer’s disease. Molecular dynamics simulations provide…
Gegen Corona werden aktuell nicht nur Impfstoffe entwickelt, sondern auch hunderte bestehende Medikamente erprobt und neue erfunden. Die Forschung…
The amlyoid-β peptide (Aβ) is closely linked to the development of Alzheimer's disease. Molecular dynamics (MD) simulations have become an…
For the COVID-19 pandemic caused by SARS-CoV-2, there are currently no effective drugs or vaccines to treat this coronavirus infection. In this study,…
We provide general AMBER force field (GAFF) parameters for 160 organic molecules including drugs, natural products, and steroids, which can be…
Protein misfolding and aggregation is observed in many amyloidogenic diseases affecting either the central nervous system or a variety of peripheral…
In amyloid aggregation diseases soluble proteins coalesce into a wide array of undesirable structures, ranging through oligomers and prefibrillar…
Molecular dynamics simulations produce large amounts of data, requiring advanced methods to extract mechanistic insight into the process under study.…