Speaker
Prof.
Anders Irbäck
(Computational Biology and Biological Physics, Lund University)
Description
The disease-linked amyloid β and α-synuclein proteins are
currently subject to intense research. I will discuss
ongoing studies, where we use implicit solvent all-atom
Monte Carlo methods to explore the conformational ensembles
sampled by these proteins. We study the full-length forms
with 42 and 140 residues, respectively, and compare our
results with existing experimental data. The aim is to
identify and characterize conformational mechanisms involved
in aggregation, and gain insight into the effects of, for
instance, mutations and aggregation-inhibiting small
molecules. I will also discuss a study of oligomer growth
for a fibril-forming 6-residue fragment of protein tau,
based on the same methods.
