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SUMMARY:Development of a sequence-dependent coarse-grained model for probi
 ng protein aggregation - Kieran Russell\, University of Cambridge
DTSTART:20221116T150000Z
DTEND:20221116T153000Z
UID:TALK183872@talks.cam.ac.uk
CONTACT:Lisa Masters
DESCRIPTION:Amyloid fibrils are insoluble protein aggregates with a charac
 teristic molecular structure\, that are associated with a variety of grave
  diseases in humans. Despite decades of research\, much uncertainty remain
 s regarding the pathological mechanisms of amyloid-associated diseases and
  the pathways by which soluble proteins self-assemble into cytotoxic oligo
 meric species and fibrils. The study of protein aggregation presents a sig
 nificant challenge in both experiments and computer simulations\, with the
  main difficulty associated with computational studies being the large sys
 tem sizes and long timescales involved in protein self-assembly\, which ar
 e far beyond those accessible with atomistic molecular modelling.\n\nOne s
 olution to this is coarse-graining\, which can allow dramatic increases in
  the system sizes under study and is a popular technique for the simulatio
 n of large-scale phenomena\, however results obtained from coarse-grained 
 simulations are inherently sensitive to the choice of model parameters and
  so a careful approach to parametrisation must be taken in order to obtain
  useful results. In this talk\, I will be discussing my PhD project\, whic
 h aims to develop a sequence-dependent coarse-grained model suitable for m
 odelling the self-assembly of proteins\, including the motivations for the
  project\, the progress so far and directions for future work.
LOCATION:Wolfson Lecture Theatre\, Dept of Chemistry and Zoom
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