Thermodynamical properties of biological molecules
KTH/Nordita/SU seminar in Theoretical Physics [before December 2013]
Wednesday 06 December 2006
to 12:00 at
Erik Lindahl (SU)
High performance computing applications have increased tremendously
the last decade or two, and it is now quite possible to simulate many
processes that were completely impossible only a few years ago. Yet,
many of the most important practical problems occur on scales of
length and time that are several orders of magnitude beyond this,
particularly in biochemistry/biology.
I will present some of the
approaches we have used to overcome these limitations, and which have
enabled us not only to simulate and model events that previously were
considered "impossible", but also doing it with standard hardware
instead of supercomputers.
This will be illustrated with examples from
our recent work on folding of small globular proteins in water as well
as understanding the entire process of how amino acids are inserted
into bilayers to form membrane proteins, but many of the underlying
modeling ideas are universally applicable.