Hetero-oligomers in solution and binding to the raft membrane

Description

Disruptions of cell membranes by tau and amylin oligomers are linked to Amyloid diseases. Recent studies suggest that misfolded tau and amylin can form neurotoxic hetero-oligomers that are structurally different from the homo-oligomers. We have simulated the creation of hetero-dimer (Video S1) and -tetramer (Video S2) in solution via a self-aggregation process by coarse-grained MD simulations. In addition, the binding of the hetero-dimer to the phase-separated raft membrane in lateral (Video S3) and transverse (Video S4) are shown. Our results provide new molecular insights into understanding the membrane damage mechanisms of hetero-oligomer associated with the cross-talk between amyloid diseases.

Steps to reproduce

Use Martini CG simulations via GROMACS.

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