BiophysicsJournal of Chemical Theory and ComputationPeer-reviewed
A coarse-grained MD model for disorder-to-order transitions in polyQ aggregation
Maurice Dekker, Mark van der Klok, Erik Van der Giessen, Patrick R. Onck
This study develops a coarse-grained MD model to study polyQ aggregation mechanisms and finds that longer sequences aggregate faster and amyloid growth occurs primarily in the β-sheet direction.