Multiscale simulations reveal the driving forces underlying V337M-induced tau core fragment aggregation.

Abstract excerpt

Pathogenic microtubule-associated protein tau (MAPT) mutations play an important role in tauopathies by altering tau assembly and early aggregation. The V337M mutation, located within the aggregation-prone PHF6** motif of tau, is known to accelerate tau assembly, while its molecular mechanism is unclear. Here, we employ multiscale molecular dynamics simulations, combining replica-exchange, conventional and...

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