Small amyloid-beta (Aβ) oligomers are believed to be the main toxic species in Alzheimer's disease, despite continuous failures of all drugs and antibodies targeting these species. Interactions of Aβ oligomers with free lipids and within membranes, and structures of oligomers in aqueous solution are difficult to characterize experimentally due to their transient characters.<br/><br/>In this study, I present what coarse-grained simulations can tell us about the early aggregation steps of Aβ16-22 peptides in bulk solution, and what atomistic simulations can tell us about plausible of Aβ42 peptides in membrane environments and interacting with free cholesterol molecules.

Amyloid-beta peptides in all their states: A computational perspective

ACS Spring Meeting 2021

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.