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Research Group de Groot |
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Computational biomolecular dynamics
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The group studies the relationship between dynamics and function of biological macromolecules at the atomic
level using computer simulations. Modern, sophisticated techniques are employed to follow the motions of atoms
and molecules at timescales of femtoseconds to microseconds, thereby providing insight into the functional mechanism
of e.g. enzymesand transport proteins. The main research focus lies on permeation events in membrane channels like
aquaporins or gramicidin, collective and functionally essential modes of motion in enzymes, and the development of
novel simulation techniques as an alternative to conventional simulation methods.
Webpage of Group
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© 2012, Max Planck Institute for Biophysical Chemistry, Göttingen |
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