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We study how proteins and other biomacromolecules function by
investigating their mechanics, dynamics and evolution.
Proteins and RNA are constantly perturbed by their environment by
external stimuli such as binding partners, by mechanical force, and by
changes in pH, temperature and other factors.
These perturbations are the basic elements of the information curcuits
in the cell. Examples are allosteric enzymes, modifications of
natively unfolded proteins, or proteins under mechanical stress.
Our group uses molecular simulations, mainly atomic-detail Molecular
Dynamics simulations, in combination with evolutionary analyses to
decipher how proteins are regulated by and function upon
perturbations.
We aim at explaining and predicting the molecular basis of
communication in cells, in signalling cascades and throughout larger
protein assemblies, to investigate how it might be modified for new
purposes.
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