Das Sommersemester an der Heinrich-Heine-Universität (HHU) war Corona-bedingt kein gewöhnliches Semester. Der Anzahl der Promovierten an der…
The amlyoid-β peptide (Aβ) is closely linked to the development of Alzheimer’s disease. Molecular dynamics (MD) simulations have become an…
We use state-of-the-art computer-aided drug design (CADD) techniques to identify prospective inhibitors of the main protease enzyme, 3CLpro of the…
Aggregation of amyloid peptides results in severe neurodegenerative diseases. While the fibril structures of Aβ40 and Aβ42 have been described…
Here we provide a step-by-step guide for setting up, running, and analyzing MD simulations of aggregating peptides using GROMACS. For the analysis we…
Protein misfolding and subsequent self-association are complex, intertwined processes, resulting in development of a heterogeneous population of…
Oxidative stress is known to play an important role in the pathogenesis of Alzheimer’s disease. Moreover, it is becoming increasingly evident that the…
