We recently visited our local HPC center, Grendel, where we got a tour of the nodes, and were able to hear the GPUs sing! Thanks a lot Ian for the opportunity for the visit.

Anna has been appointed an associate fellow at the Aarhus Institute of Advanced Studies (AIAS). Anna looks forward to many interesting new cross-disciplinary discussions! See more at: https://aias.au.dk/events/show/artikel/13-associate-fellows-from-aarhus-university-appointed-to-aias

Biomodelling group at Aarhus University just published in the Journal of Chemical Theory and Computation performed in collaboration with the University of Groningen, the Neatherlands, and CRNS, France. In this study Kasper Busk Pedersen, Amanda Dyrholm Stange, and Birgit Schiøtt designed an algorithm, which identifies native contacts with hydrogen bond capabilities in coarse-grained proteins and use it to implement a novel Go̅-like model for Martini 3. Read the full article here: https://pubs.acs.org/doi/10.1021/acs.jctc.4c00553

Our Biomodelling group at Aarhus University just published our latest research in the Journal of Hazardous Materials, done in collaboration with Angers University in France. In our new study, our current and previous team members – Lorena Zuzic, Ditlev H. Hansen, Lisbeth R. Kjølbye, and Birgit Schiøtt – used docking and molecular dynamics simulations to explore how these derivatives, commonly found in disinfected water, bind to the follicle-stimulating hormone receptor. Read the full article here: https://doi.org/10.1016/j.jhazmat.2024.135619

Mikkel is starting as a PhD student in September and will be working on large-scale simulations of neuronal synapses with the aim of investigating proteins involved in synapse formation during brain development.

Tommy is starting as a PhD student in September and he will be working on large-scale simulations of synaptic vesicles in order to understand how certain membrane proteins (SNAREs)

We have been awarded seed funding from the Lundbeck Foundation! The grant will fund work on protein-lipid interactions of an ion channel involved in regulating cerebrospinal fluid accumulation, in collaboration with Trine Toft, a molecular neuroscientist at Copenhagen University.

New pre-print "Creating Coarse-Grained Systems with COBY: Towards Higher Accuracy in Membrane Complexity" on bioRxiv. This is a collaboration with CNRS in Lyon. Read more here: https://doi.org/10.1101/2024.07.23.604601

New article "Cryo-EM structure of the dopamine transporter with a novel atypical non-competitive inhibitor bound to the orthosteric site" published in Journal of Neurochemistry. This article is in collaboration with Poul Nissen group from Department of Molecularbiology and Genetics. You can read it here: https://doi.org/10.1111/jnc.16179

On the May 1, Birgit Schiøtt was appointed as the new dean of the Faculty of Natural Sciences. We wish Birgit the best of luck in the future and with this exciting new position.