Speaker
Wolfhard Janke
(Leipzig Univeristy)
Description
Folding, aggregation and crystallization of proteins and
polymers, interaction between proteins and membranes
as well as adsorption of organic soft matter to inorganic
solid substrates belong to the most interesting
challenges in understanding the structure and function
of complex macromolecules. Recent advances of
computer simulations in generalized ensembles
combined with new analysis methodologies can provide
valuable insight into the processes on multiple scales
governing the self-assembly in such systems. After a
brief survey of approaches with different resolution, I
will focus on mesoscopic models and present results
from recent simulations of crystallization, aggregation
and adsorption phenomena of macromolecules.
