Join our team at Katritch lab to explore new directions in computer-driven #DrugDiscovery using structure-based and #DeepLearning approaches. jobrxiv.org/job/university…

Neil Neil Thomson used his new mutual-information method SSI (implemented in the software PENSA: arxiv.org/abs/2212.02714), to identify the coupled conformational changes in opioid receptors that underpin the 'sodium effect' biorxiv.org/content/10.110…

Been a bit slow to post some significant events lately... Firstly, Congratulations to Neil Thompson from U Zachariae Group group in #compbiodundee who passed his EastBio DTP Ph.D. viva on 29th May. Here is Dr Thompson about to celebrate with something fizzy! UoD Life Sciences

Happy to have had a chance to be involved in this project- excited to see it in print!

Drug efflux in bacteria is a major driver of antibiotic resistance - our new study based on large data analysis identifies rational rules to design efflux-evading drugs against Gram-negative bacteria biorxiv.org/content/10.110…

Interested in ion channel selectivity? Our updated preprint on biorxiv describes how a hydrophobic funnel governs monovalent cation selectivity in the TRPM5 channel! The updated version includes additional sims of a mutant TRPM5 U Zachariae Group biorxiv.org/content/10.110…

OTOP1 is not just a sour receptor, it also mediates ammonium chloride taste. Never tasted NH4Cl? It’s in salty licorice – beloved in Scandinavian countries. Our paper in Nature Communications goes from channel biophysics to behavior. rdcu.be/dnPGI.

Two-pore channels in endo-lysosomes are amongst the most enigmatic ion channels in humans, although they are key players in viral infection. Alp Tegin's work characterises ion flow, channel gating, and selectivity in human TPC2: biorxiv.org/content/10.110…

Mechanism of substrate binding and transport in BASS transporters | eLife doi.org/10.7554/eLife.…

Postdoc position available in the Fahlke lab in Jülich: fz-juelich.de/de/karriere/st…

Exciting #glycotime now live on #bioRxiv (doi.org/10.1101/2023.1…)! In this work, appropriately named #GotGlycans, we teamed up with John Klassen’s group at the University of Alberta and with the help of Yves Durocher (NRC) we show how N-glycosylation (even at a single site) can

It’s the most wonderful #glycotime of the year! Let us (@ElisaTelisa Ojas Singh) introduce you to #GlycoShape (glycoshape.org), a web platform that allows users to restore glycoproteins 3D structures (PDB, AF/RoseTTAFold or own) to their natural, functional state by

Awesome new work on how compounds avoid efflux pumps came out last week in npj Antimicrobials and Resistance 🧩 From Dominik Gurvic & Ulrich Zachariae at University of Dundee ✨ (1/5) nature.com/articles/s4425…

Our new work on calcium ion-mediated inactivation of an olfactory receptor is out on JCIM! (JCIM & JCTC Journals) We presented the first in silico inactivation of an OR, which seems to be connected to the presence of a calcium ion in the ion binding pocket! pubs.acs.org/doi/10.1021/ac…

Attention researchers! 📢We are delighted to announce a PhD studentship within the Leach Research group! Details of the project can be found on the following link: findaphd.com/phds/project/m…

Antimicrobial resistance occurs when microbes (like bacteria, viruses and fungi) change and adapt over time, developing resistance to the drugs designed to kill them. It's one of our greatest public health threats. Here’s what you need to know ⤵️ wellcome.org/news/what-anti…

Our pre-print "Comparative evaluation of methods for the prediction of protein-ligand binding sites" is out on Research Square. Check it out! 🔗 tinyurl.com/Utges-LBS-comp On this paper we benchmark 11 ligand binding site prediction tools on our curated reference dataset: LIGYSIS!

Happy to share the final paper from my PhD with U Zachariae Group and UoD Life Sciences! In this work we looked into the selectivity of TRPM5, an interesting ion channel implicated in both taste and insulin secretion. 1/4 doi.org/10.1016/j.bpj.…

🚨 Paper Alert🚨 Our latest paper from U Zachariae Group group reveals how Na+ ions negatively modulate the μ-opioid receptor (μ-OR)! 🧬 Huge thanks to all involved. Full story: cell.com/structure/full… Funded by EastBio DTP, work performed at UoD Life Sciences #GPCR #opioid