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Workshops

Multiscale modeling of biomolecular aggregation and protein-membrane interactions in amyloid diseases

July 11, 2016 to July 13, 2016
Location : CECAM-Lugano, Lugano, Switzerland Venue: USI University of Swiss Italy Campus - Aula Magna Bldg. Please see:
   Logistics Lugano
   Logistics Lugano
   Visa requirements

Organisers

  • Nicolae-Viorel Buchete (University College Dublin, Ireland)
  • Birgit Strodel (Research Centre Jülich, Germany)
  • John E. Straub (Boston University, USA)

Supports

   CECAM

Description

Venue: USI University of Swiss Italy Campus - Aula Magna Bldg. Please see:   Logistics Lugano above!!!
 

Bringing together the top researchers in modeling amyloid aggregation, with emphasis on the amyloid peptide involved in the etiology of Alzheimer's disease, we will discuss current state-of-the-art techniques covering different length and time scales and establish stronger relations between them. The proposed program of research presentations and open discussions involving researchers from both the computational modeling and experimental fields will accelerate progress in this very active area of research, with the goal of identifying specific outstanding questions that may be jointly answered by simulation and experiments.

The central topic of this workshop will be the exploration of novel simulation approaches addressing critical questions relevant to our understanding of amyloid aggregation on different length and time scales, with the goal of identifying enhanced methods and biologically relevant models. A second focus of this workshop will be on relating simulation and experiment in order to identify joint, collaborative approaches for the future. More precisely, the following topics will be considered:

1. Classical approaches to model the assembly and structure of early amyloid oligomers.

2. Including in vivo effects in simulation approaches: metal ions, membranes, surfaces, molecular crowding.

3. Coarse-grained approaches to study amyloid aggregation on larger length and time scales, from the formation of protofibril-like oligomers to amyloid fibrils and filaments.

4. New simulation and experimental approaches to quantify and control the mechanism of protein and peptide aggregation, and the formation of oligomers and fibrils .

Please note that we have reached the maximal number of particpants that we can accept for the workshop. Therefore, registration has been closed.

References

[1] Straub, J.E.; Thirumalai, D. Annu Rev Phys Chem. 2011, 62, 437-463.
[2] Buchete, N. V. Biophys. J. 2012, 103, 1411-1413.
[3] Nasica-Labouze, J., et al. Chem. Rev. 2015, 115, 3518-3563.
[4] Kirkitadze, M.; Bitan, G.; Teplow, D.B. J. Neurosci. Res. 2002, 69, 567-577.
[5] Bucciantini, M.; Giannoni, E.; Chiti, F.; Baroni, F.; Formigli, L.; Zurdo, J.; Taddei, N.; Ramponi, G.; Dobson, C.M.; Stefani, M. Nature 2002, 416, 507.
[6] Kayed, R.; Sokolov, Y.; Edmonds, B.; McIntire, T.M.; Milton, S.C.; Hall, J.E.; Glabe, C.G. J. Biol. Chem. 2004, 279, 46363-46366.
[7] Lashuel, H.; Hartley, D.; Petre, B.; Walz, T.; Lansbury Jr., P. Nature 2002, 418, 291.
[8] Tofoleanu, F., et al. ACS Chem. Neurosci. 2015, 6(3): 446-455.
[9] Hayden, E.Y.; Teplow, D.B. Alzheimer's Research & Therapy 2013, 5, 60
[10] Strodel, B.; Lee, J.W.; Whittleston, C.S.; Wales, D.J. J. Am. Chem. Soc. 2010,132, 13300-13312.
[11] Miller, Y.; Ma, B.; Nussinov, R. Proc. Nat. Acad. Sci. USA 2010, 107, 9490–9495.