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IAS-Seminar "Generalized-ensemble sampling of protein folding and aggregation"

24.04.2015 10:00 Uhr
24.04.2015 11:00 Uhr
Jülich Supercomputing Centre, Rotunde, Geb. 16.4, R. 301
Prof. Ulrich H.E. Hansmann, Department of Chemistry and Biochemistry, University of Oklahoma, Norman, OK, USA
A detailed knowledge of the processes by that proteins fold, self-assemble or aggregate is crucial for an understanding of disease pathways and the working of drugs at the level of cells. As these fundamental processes are difficult to trace in experiments, there is a need for reliable computational tools that complement experiments in studying folding and aggregation of proteins. In this talk, I will describe some of the methods and techniques that are transforming computer simulations into virtual microscopes. As examples on how high performance computing can probe the molecular mechanism of cells I will discuss the folding of proteins that can take more than one structure and the formation of amyloid oligomers and fibrils that are associated with various diseases.
Freitag, 24. April 2015, 10.00 Uhr
Jülich Supercomputing Centre, Rotunde, Geb.16.4, R 301
Ankündigung als pdf-Datei:
 Generalized-ensemble sampling of protein folding and aggregation (PDF, 28 kB)

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