Check out our latest paper with Sonja Peter, Chris de Graaf, ALLODD, Nxera Pharma, on the systematic annotation and ligandability assessment of allosteric GPCR binding sites. pubs.acs.org/doi/10.1021/ac…

In the past three days, we have presented our activities to the curious visitors of the first Science Expo exhibition in the magnificent Museum of Fine Arts, Budapest. Thanks for our fantastic PhD students for their volunteer work! niu.hu/en/events/scie…

Check out our latest paper on the role of the water network in protein-ligand binding. Fantastic collaboration with our colleagues from University of Pécs (UP) and Univ. Ljubljana. Janez Ilaš pubs.acs.org/doi/full/10.10…

Our joint work with the Martinek group of University of Szeged on local surface mimetics was featured on the cover of Angewandte Chemie! onlinelibrary.wiley.com/doi/10.1002/an…

Our work on the benchmarking of uHTVS workflows against DEL libraries was featured on the cover of JCIM JCIM & JCTC Journals. pubs.acs.org/doi/10.1021/ac…

We are happy to welcome Elisa Patacchini from the Sapienza University of Rome, who will be working with us for the next months on the computational modeling of GPCR ligands.

Our new photoaffinity labelling technology (bit.ly/4kiVZ74) is published in Angewandte Chemie. It is more biocompatible, more efficienct, cheaper and easily accessible, even as a late-stage modification. We are working with Enamine Ltd 🇺🇦 to make it available for the community.

How do affinity and reactivity shape covalent target engagement? In our latest paper in J Med Chem, we show the distinct advantages of lead-like compounds vs. fragments in TCI design. #CovalentDrugs #MedicinalChemistry #DrugDiscovery pubs.acs.org/doi/10.1021/ac…

Our latest review in Eur J Pharm Sci summarizes recent advances (2018–2024) in #fluorescent probe development for Class A #GPCRs, analyzing over 120 newly developed probes covering 60 GPCRs. doi.org/10.1016/j.ejps…

Following our recent review on #fluorescent probes for #GPCRs, our latest paper details an interesting case study of the M2 receptor. pubs.acs.org/doi/full/10.10…

In our recent work, we have utilized a scarcely-studied #allosteric site of STAT3 to design new covalent inhibitors. pubs.acs.org/doi/10.1021/ac…

Our colleague, Dávid Bajusz, was appointed as a member of the Hungarian Young Academy: fka.mta.hu/en/tagok/bajus…

We congratulate our colleague, Nikolett Péczka, for her successful PhD defense! 👏Full points from the on-site Doctoral Committee, final decision by the Univ. Doctoral Board later this year.

We congratulate our colleague, Dénes Szepesi Kovács, for his successful PhD defense! (Overwhelming support from the on-site Doctoral Committee, final decision by the Univ. Doctoral Board later this year.) 👏

Rounding off an incredible streak, Levente Kollár is our third junior colleague to successfully defend his PhD thesis in the past two weeks, with full points from the on-site committee! Congratulations to all three of you, we’re super-proud! 👏

We are happy to welcome Tamás Dobai from the Institute of Parasitology in České Budějovice, Czechia, who will be working with us for the next months on the computational modeling of parasitic enzymes.

Our paper on allosteric, covalent STAT inhibitors was highlighted in the "Recent article highlights" of ACS Med Chem Lett. pubs.acs.org/doi/10.1021/ac…

The changing landscape of medicinal chemistry optimization nature.com/articles/s4157… This new article analyses oral drug candidates and their corresponding hit and lead compounds from recent years and from the early 2000s, and discusses the implications of the observed trends

Let’s check the latest paper on covalent ligand efficiency from our group that extends the LE formalism to cysteine-targeting covalent ligands! Read the full article online: doi.org/10.1016/j.drud…

In collaboration with the group of Carles Galdeano, we have expanded the chemical space of E3 ligase binders by discovering new allosteric modulators of FBW7. Read the full article at doi.org/10.1002/advs.2…