January, 2019:
The website for the upcoming Alchemical Free Energy Workshop
has been launched.

July 20, 2018:
Our paper on ion selectivity in K+ channels has been highlighted in a News & Views article, both published in Nature Chemistry.

April 15, 2018:
Ruo-Xu Gu joined the Group as a Postdoc!


We carry out computer simulations of biological macromolecules to study the relationship between dynamics and function.

Using molecular dynamics simulations and other computational tools we predict the dynamics and flexibility of proteins, membranes, carbohydrates and polynucleotides to study biological function and dysfunction at the atomic level.

From may 27-28 we host the Alchemical Free Energy Workshop in Göttingen. Visit the wokshop website.

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